SCHEMBL5962355

SCHEMBL5962355

CC(C)Cc1cc2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
AGXT P21549 1/20 0.53
PSMB5 P28074 2/20 0.46
PSMB8 P28062 1/20 0.46
HTR2B P41595 4/20 0.45
HTR1A P08908 3/20 0.45
PIN1 Q13526 1/20 0.45
CYP19A1 P11511 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 1/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 2/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL11291792 0.85 LOXL2 (0.55) LOXL2AGXTPSMB5PSMB8HTR2B
SCHEMBL2022678 0.85 LOXL2 (0.59) LOXL2AGXTPSMB5PSMB8HTR2B
SCHEMBL30458086 0.82 LOXL2 (0.51) LOXL2AGXTPSMB5PSMB8HTR2B
SCHEMBL30457961 0.82 LOXL2 (0.51) LOXL2AGXTPSMB5PSMB8HTR2B
SCHEMBL29622317 0.81 LOXL2 (0.55) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL12216577 0.81 LOXL2 (0.50) LOXL2AGXTPSMB5PSMB8HTR2B
SCHEMBL30457823 0.80 SIGMAR1 (0.49) LOXL2AGXTPSMB5PSMB8HTR2B
SCHEMBL30458044 0.80 SIGMAR1 (0.49) LOXL2AGXTPSMB5PSMB8HTR2B
SCHEMBL8039756 0.79 LOXL2 (0.47) LOXL2AGXTPSMB5PSMB8HTR2B
SCHEMBL19067621 0.78 ALDH1A1 (0.41) LOXL2PSMB8MAOBL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20210393557-A1 Regulators of the Endoplasmic Reticulum Proteostasis Network THE SCRIPPS RESEARCH INSTITUTE 2021-12-23 US disclosed
US-11180492-B2 Anti-parasitic compounds and uses thereof UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2021-11-23 US disclosed
US-11135186-B2 Regulators of the endoplasmic reticulum proteostasis network THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-05 US disclosed
US-20210188831-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2021-06-24 US disclosed
US-20200165237-A1 FIVE MEMBERED-AMINOHETEROCYCLE AND 5,6-or 6,6-MEMBERED BICYCLIC AMINOHETEROCYCLIC INHIBITORS OF ROCK FOR THE TREATMENT OF HEART FAILURE BRISTOL MYERS SQUIBB CO (US) 2020-05-28 US disclosed
US-20190002463-A1 ANTI-PARASITIC COMPOUNDS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2019-01-03 US disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 US disclosed
US-9783490-B2 Antimicrobial compounds, their synthesis and applications thereof THE SECRETARY OF STATE FOR HEALTH (GB) 2017-10-10 US disclosed
US-9724321-B2 Histone deacetylase inhibitors PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-7432292-B2 Sulfhydantoins as phosphate isosteres VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-07 US disclosed
US-7432292-B2 Sulfhydantoins as phosphate isosteres VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-07 US disclosed
US-20070287745-A1 Laulimalide Analogs and Uses Thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-13 US disclosed
US-7273876-B2 Substituted bicylic thiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-09-25 US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 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 (13 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-11180492-B2 Anti-parasitic compounds and uses thereof MPO, GOT2, GOT1 LOXL2 1953/4885AGXT 1476/4885PSMB5 3360/4885
US-20210393557-A1 Regulators of the Endoplasmic Reticulum Proteostasis Network XBP1, HSPA5, TFEB LOXL2 1927/4885AGXT 711/4885PSMB5 79/4885
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 LOXL2 3004/4885AGXT 2286/4885PSMB5 793/4885
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR LOXL2 2897/4885AGXT 1433/4885PSMB5 3069/4885
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 LOXL2 4646/4885AGXT 1554/4885PSMB5 59/4885
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 LOXL2 2601/4885AGXT 3909/4885PSMB5 384/4885
US-11135186-B2 Regulators of the endoplasmic reticulum proteostasis network XBP1, HSPA5, TFEB LOXL2 1927/4885AGXT 711/4885PSMB5 79/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 LOXL2 1246/4885AGXT 203/4885PSMB5 286/4885
US-20070287745-A1 Laulimalide Analogs and Uses Thereof LPXN, MLX, ZYX LOXL2 279/4885AGXT 394/4885PSMB5 1642/4885
US-20190002463-A1 ANTI-PARASITIC COMPOUNDS AND USES THEREOF MPO, GOT2, GOT1 LOXL2 1953/4885AGXT 1476/4885PSMB5 3360/4885
US-20200165237-A1 FIVE MEMBERED-AMINOHETEROCYCLE AND 5,6-or 6,6-MEMBERED BICYCLIC AMINOHETEROCYCLIC INHIBITORS OF ROCK FOR THE TREATMENT OF HEART FAILURE MYLK, MYLK2, ROCK1 LOXL2 2212/4885AGXT 3337/4885PSMB5 869/4885
US-20210188831-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC6, HDAC1, HDAC3 LOXL2 3742/4885AGXT 1174/4885PSMB5 472/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 LOXL2 989/4885AGXT 170/4885PSMB5 307/4885

“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.