SCHEMBL1508668

SCHEMBL1508668

COc1cccc2c1CCC2O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLL Q9UGP5 1/20 0.62
CYP19A1 P11511 1/20 0.52
HSD11B1 P28845 1/20 0.52
HTR1A P08908 7/20 0.50
DRD2 P14416 5/20 0.50
DRD3 P35462 5/20 0.50
DRD4 P21917 4/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
HTR5A P47898 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA1A P35348 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP11B2 P19099 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL6804047 1.00 POLL (0.62) POLLCYP19A1HSD11B1HTR1ADRD2
SCHEMBL2818908 0.90 POLL (0.55) POLLCYP19A1HSD11B1KMT2ACA1
SCHEMBL24510645 0.81 S1PR1 (0.52) POLLHTR1ADRD2DRD3DRD4
SCHEMBL13518769 0.81 POLL (0.47) POLLCYP19A1HSD11B1HTR1ADRD2
SCHEMBL13616708 0.81 POLL (0.49) POLLDRD2ADRA1A
SCHEMBL30715540 0.80 CYP19A1 (0.48) POLLCYP19A1HSD11B1HTR1ADRD2
SCHEMBL11087080 0.80 ACHE (0.50) POLLKMT2ATSHR
SCHEMBL17014300 0.80 HTR1A (0.55) CYP19A1HSD11B1HTR1ADRD2DRD3
SCHEMBL29944713 0.79 POLL (0.48) POLLCYP19A1HSD11B1DRD2DRD3
SCHEMBL24873168 0.79 CYP19A1 (0.50) CYP19A1HSD11B1HTR1ADRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3568128-B1 HSP90B N-TERMINAL ISOFORM-SELECTIVE INHIBITORS UNIV KANSAS (US) 2022-07-06 EP disclosed
US-10927076-B2 HSP90B N-terminal isoform-selective inhibitors UNIVERSITY OF KANSAS (US) 2021-02-23 US disclosed
US-10927076-B2 HSP90B N-terminal isoform-selective inhibitors UNIVERSITY OF KANSAS (US) 2021-02-23 US disclosed
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 US disclosed
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 US disclosed
EP-3568128-A1 HSP90B N-TERMINAL ISOFORM-SELECTIVE INHIBITORS The University of Kansas (US) 2019-11-20 EP disclosed
US-20190337894-A1 HSP90B N-TERMINAL ISOFORM-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2019-11-07 US disclosed
US-10300062-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
US-10300062-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-13 US disclosed
US-4692445-A ANTISECRETORY, ANTIULCEROGENIC AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1987-09-08 US disclosed
EP-0199781-A4 BICYCLIC BENZENOID ALKYLENE AMINO THIENO AD3,4-d BDISOTHIAZOLE ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES. RORER INTERNAT OVERSEAS INC (US) 1987-03-30 EP disclosed
US-4647559-A ANTISECRETORY AND ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1987-03-03 US disclosed
US-4638001-A ANTISECRETORY, ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1987-01-20 US disclosed
EP-0199781-A1 BICYCLIC BENZENOID ALKYLENE AMINO THIENO AD3,4-d BDISOTHIAZOLE ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1986-11-05 EP disclosed
US-4588719-A ANTISCERETORY AGENTS, ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1986-05-13 US disclosed
WO-1986002552-A1 BICYCLIC BENZENOID ALKYLENE AMINO THIENO AD3,4-d BDISOTHIAZOLE ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1986-05-09 WO disclosed
EP-0150192-A4 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS. RORER INTERNAT OVERSEAS INC (US) 1985-09-16 EP disclosed
EP-0150192-A1 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS. RORER INT OVERSEAS (US) 1985-08-07 EP disclosed
WO-1984004247-A1 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INT OVERSEAS (US) 1984-11-08 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 (5 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-20190337894-A1 HSP90B N-TERMINAL ISOFORM-SELECTIVE INHIBITORS HSP90AB1, HSP90AB2P, HSP90B1 POLL 3655/4885CYP19A1 2565/4885HSD11B1 583/4885
US-10927076-B2 HSP90B N-terminal isoform-selective inhibitors HSP90AB1, HSP90AB2P, HSP90B1 POLL 3655/4885CYP19A1 2565/4885HSD11B1 583/4885
US-10300062-B2 Bicyclically substituted uracils and the use thereof UNG, UMPS, TYMP POLL 349/4885CYP19A1 1787/4885HSD11B1 2513/4885
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP POLL 349/4885CYP19A1 1787/4885HSD11B1 2513/4885
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP POLL 349/4885CYP19A1 1787/4885HSD11B1 2513/4885

“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.