SCHEMBL1766183

SCHEMBL1766183

COc1cc(C=O)cc(F)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 8/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HPGD P15428 2/20 0.46
▸ TRIM24 O15164 1/20 0.46
▸ ALDH5A1 P51649 1/20 0.46
▸ ABAT P80404 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TRIM33 Q9UPN9 1/20 0.46
▸ KRAS P01116 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ FDPS P14324 1/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29803132 1.00 TUBB1 (0.50) TUBB1ALDH1A1TSHRHPGDTRIM24
SCHEMBL2306018 0.88 TUBB1 (0.47) TUBB1ALDH1A1TSHRHPGDTRIM24
SCHEMBL16619850 0.86 ALDH1A1 (0.59) TUBB1ALDH1A1TSHRHPGDTRIM24
SCHEMBL96635 0.86 ALDH1A1 (0.59) TUBB1ALDH1A1TSHRHPGDTRIM24
SCHEMBL12493025 0.84 ALDH1A1 (0.43) TUBB1ALDH1A1TSHRHPGDTRIM24
Hydrochloric Acid SCHEMBL23711567 0.84 ALDH1A1 (0.57) TUBB1ALDH1A1TSHRHPGDTRIM24
SCHEMBL29411737 0.82 ALDH1A1 (0.52) TUBB1ALDH1A1TSHRHPGDTRIM24
SCHEMBL5200065 0.82 ALDH1A1 (0.52) TUBB1ALDH1A1TSHRHPGDTRIM24
SCHEMBL16680535 0.82 FDPS (0.50) TUBB1ALDH1A1TSHRHPGDTDP1
SCHEMBL13512685 0.81 ALDH1A1 (0.50) TUBB1ALDH1A1TSHRHPGDTRIM24

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12540144-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2026-02-03 — — US disclosed
US-20240239810-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2024-07-18 — — US disclosed
US-11945827-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2024-04-02 — — US disclosed
CN-114539249-B Podophyllotoxin derivative tubulin inhibitor, and preparation method and medical application thereof 中国药科大学 2024-01-26 — — CN disclosed
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 — — US disclosed
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 — — US disclosed
US-20220363692-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-11-17 — — US disclosed
EP-4037702-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF The Johns Hopkins University (US) 2022-08-10 — — EP disclosed
CN-114539249-A Podophyllotoxin derivative tubulin inhibitor and preparation method and medical application thereof 中国药科大学 2022-05-27 — — CN disclosed
US-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-04-21 — — US disclosed
US-20110104055-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH INC. 2011-05-05 — — US disclosed
US-7507851-B2 Halocombstatins and methods of synthesis thereof ARIZONA BOARD OF REGENTS, A STATE CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2009-03-24 — — US disclosed
US-20090060838-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH INC. 2009-03-05 — — US disclosed
US-20080119649-A1 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2008-05-22 — — US disclosed
US-20070167412-A1 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF ARIZONA BOARD OF REGENTS (US) 2007-07-19 — — US disclosed
EP-1802560-A2 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF Arizona Board Regents, a body corporate of the State of Arizona, acting for and on behalf of Arizona State University (US) 2007-07-04 — — EP disclosed
US-7223747-B2 Halocombstatins and methods of synthesis thereof ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2007-05-29 — — US disclosed
US-7223747-B2 Halocombstatins and methods of synthesis thereof ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2007-05-29 — — US disclosed
WO-2006036743-A2 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2006-04-06 — — WO disclosed
US-20050176688-A1 Halocombstatins and methods of synthesis thereof ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA 2005-08-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080119649-A1 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF TUBB3, TUBB8B, TUBB8 TUBB1 8/4885ALDH1A1 4790/4885TSHR 3150/4885
US-20220363692-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR TUBB1 2480/4885ALDH1A1 4678/4885TSHR 3853/4885
US-20070167412-A1 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF TUBB3, TUBB8B, TUBB8 TUBB1 8/4885ALDH1A1 4790/4885TSHR 3150/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR TUBB1 2480/4885ALDH1A1 4678/4885TSHR 3853/4885
US-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS CFB, TFPI, MAOB TUBB1 1253/4885ALDH1A1 3311/4885TSHR 2180/4885
US-20090060838-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES IAPP, SNCA, BACE2 TUBB1 781/4885ALDH1A1 2612/4885TSHR 4003/4885
US-20110104055-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES IAPP, SNCA, BACE2 TUBB1 723/4885ALDH1A1 2495/4885TSHR 4061/4885
US-11945827-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR TUBB1 2480/4885ALDH1A1 4678/4885TSHR 3853/4885
US-12540144-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, CHP1, FKBP8 TUBB1 1945/4885ALDH1A1 4764/4885TSHR 2134/4885
US-20050176688-A1 Halocombstatins and methods of synthesis thereof TUBB3, TUBB8B, TUBB8 TUBB1 8/4885ALDH1A1 4790/4885TSHR 3150/4885
US-20240239810-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, MTOR, FKBP14 TUBB1 3016/4885ALDH1A1 4631/4885TSHR 4022/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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