SCHEMBL2593503

SCHEMBL2593503

COc1c(I)cc(C=O)cc1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
TPMT P51580 1/20 0.44
ALDH1A1 P00352 7/20 0.42
TSHR P16473 2/20 0.42
CYP2A6 P11509 1/20 0.41
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
AOX1 Q06278 1/20 0.38
TRIM24 O15164 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
SRC P12931 1/20 0.37
TTR P02766 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FDPS P14324 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL2335896 0.88 ALDH1A1 (0.50) MCL1ALDH1A1TSHRHPGDTDP1
SCHEMBL30426642 0.88 ALDH1A1 (0.50) MCL1ALDH1A1TSHRHPGDTDP1
SCHEMBL6738294 0.88 SRC (0.49) MCL1TPMTALDH1A1TSHRCYP2A6
SCHEMBL27426702 0.86 TPMT (0.54) MCL1TPMTALDH1A1HPGDTDP1
SCHEMBL5370373 0.83 MCL1 (0.41) MCL1TPMTALDH1A1TSHRCYP2A6
SCHEMBL2664413 0.82 MCL1 (0.44) MCL1TPMTALDH1A1TSHRHPGD
SCHEMBL17518840 0.81 ALDH1A1 (0.47) MCL1ALDH1A1TSHRHPGDTDP1
SCHEMBL5146420 0.79 ALDH1A1 (0.55) MCL1ALDH1A1TSHRCYP2A6TDP1
SCHEMBL9859402 0.77 ALDH1A1 (0.43) MCL1ALDH1A1TSHRHPGDTDP1
SCHEMBL20570872 0.76 MTNR1A (0.36) MCL1TPMTALDH1A1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109674-A1 ALLOSTERIC MODULATION OF MUSCARINIC ACETYLCHOLINE RECEPTOR EFFICACY THE UNIVERSITY OF TOLEDO (US) 2026-04-23 US disclosed
WO-2024102245-A1 ALLOSTERIC MODULATION OF MUSCARINIC ACETYLCHOLINE RECEPTOR EFFICACY THE UNIVERSITY OF TOLEDO (US) 2024-05-16 WO disclosed
US-8980933-B2 Combretastatin analogs for use in the treatment of cancer UNIVERSITAT BAYREUTH (DE) 2015-03-17 US disclosed
EP-2566851-B1 Combretastatin analogs for use in the treatment of cancer UNIVERSITÄT BAYREUTH (DE) 2015-01-14 EP disclosed
US-20130137740-A1 COMBRETASTATIN ANALOGS FOR USE IN THE TREATMENT OF CANCER MARTIN-LUTHER-UNIVERSITAT HALLE-WITTENBERG 2013-05-30 US disclosed
US-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2013-05-23 US disclosed
US-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2013-05-23 US disclosed
US-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2013-05-23 US disclosed
EP-2576514-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT SA (FR) 2013-04-10 EP disclosed
EP-2566851-A1 COMBRETASTATIN ANALOGS FOR USE IN THE TREATMENT OF CANCER Universität Bayreuth (DE) 2013-03-13 EP disclosed
WO-2011151423-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2011-12-08 WO disclosed
WO-2011138409-A1 COMBRETASTATIN ANALOGS FOR USE IN THE TREATMENT OF CANCER UNIVERSITÄT BAYREUTH (DE) 2011-11-10 WO 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-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-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
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 (6 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 MCL1 27/4885TPMT 1186/4885ALDH1A1 4790/4885
US-20070167412-A1 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF TUBB3, TUBB8B, TUBB8 MCL1 27/4885TPMT 1186/4885ALDH1A1 4790/4885
US-20130137740-A1 COMBRETASTATIN ANALOGS FOR USE IN THE TREATMENT OF CANCER ABCC1, ABCB1, HMGCR MCL1 277/4885TPMT 376/4885ALDH1A1 1555/4885
US-20260109674-A1 ALLOSTERIC MODULATION OF MUSCARINIC ACETYLCHOLINE RECEPTOR EFFICACY CHRM5, CHRM3, CHRNA3 MCL1 3803/4885TPMT 1080/4885ALDH1A1 2558/4885
US-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS TUBB3, TUBB, TUBB1 MCL1 762/4885TPMT 370/4885ALDH1A1 2257/4885
US-20050176688-A1 Halocombstatins and methods of synthesis thereof TUBB3, TUBB8B, TUBB8 MCL1 27/4885TPMT 1186/4885ALDH1A1 4790/4885

“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.