SCHEMBL4601619

SCHEMBL4601619

CC(C)c1cccc(-c2ccc(C(=O)O)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 1.00
RXRB P28702 5/20 1.00
RXRG P48443 1/20 1.00
BCL2 P10415 1/20 0.57
TRIM24 O15164 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
PTPN5 P54829 2/20 0.52
KMO O15229 1/20 0.50
RARA P10276 1/20 0.50
RARB P10826 1/20 0.50
RARG P13631 1/20 0.50
EGFR P00533 1/20 0.50
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL4602193 0.88 RXRA (0.78) RXRARXRBRXRGPTPN5KMO
SCHEMBL26816758 0.86 RXRA (0.76) RXRARXRBRXRGPTPN5LMNA
SCHEMBL13246129 0.85 RXRA (0.73) RXRARXRBRXRGPTPN5
SCHEMBL2627836 0.83 RXRA (0.71) RXRARXRBRXRGBCL2PTPN5
SCHEMBL18708437 0.82 RXRA (0.69) RXRARXRBRXRGBCL2RARA
SCHEMBL12172000 0.82 RXRA (0.69) RXRARXRBRXRGRARARARB
SCHEMBL18878388 0.82 RXRA (0.69) RXRARXRBRXRGPTPN5EGFR
SCHEMBL5943729 0.82 RXRA (0.69) RXRARXRBRXRGPTPN5
SCHEMBL4137383 0.82 RXRA (0.69) RXRARXRBRXRGBCL2TRIM24
SCHEMBL6716273 0.82 RXRA (0.69) RXRARXRBRXRGBCL2TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO claimed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 US disclosed
US-11530209-B2 Small molecule inhibition of transcription factor SALL4 and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-20 US disclosed
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX-FXR GMBH (DE) 2021-05-20 US disclosed
US-20200317664-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-08 US disclosed
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-07 US disclosed
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 US disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-7645799-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-05 US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO 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-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A RXRA 303/4885RXRB 156/4885RXRG 136/4885
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors CHUK, BCOR, MYC RXRA 753/4885RXRB 785/4885RXRG 985/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R RXRA 1256/4885RXRB 1669/4885RXRG 1191/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 RXRA 1285/4885RXRB 1380/4885RXRG 1658/4885
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 RXRA 26/4885RXRB 12/4885RXRG 17/4885
US-11530209-B2 Small molecule inhibition of transcription factor SALL4 and uses thereof SALL4, GLI2, TCF4 RXRA 450/4885RXRB 391/4885RXRG 371/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 RXRA 26/4885RXRB 12/4885RXRG 17/4885
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 RXRA 3455/4885RXRB 3838/4885RXRG 4053/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 RXRA 1720/4885RXRB 1267/4885RXRG 946/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A RXRA 303/4885RXRB 156/4885RXRG 136/4885
US-20200317664-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF SALL4, GLI2, TCF4 RXRA 450/4885RXRB 391/4885RXRG 371/4885

“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.