SCHEMBL6917419

SCHEMBL6917419

Cc1ccc2c(c1)OCC=C2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.49
CYP1A2 P05177 4/20 0.36
CYP1B1 Q16678 1/20 0.36
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2B6 P20813 1/20 0.33
MMP12 P39900 1/20 0.33
CA9 Q16790 2/20 0.32
CA1 P00915 1/20 0.32
ADRA2A P08913 1/20 0.32
CA12 O43570 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP2A6 P11509 2/20 0.31

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
SCHEMBL3132576 0.84 CYP2B6 (0.42) STSCYP1A2CYP1B1ALDH1A1GAA
SCHEMBL29274342 0.76 STS (0.49) STSCYP1A2CYP1B1MAPTCYP2B6
SCHEMBL10426769 0.76 STS (0.53) STSCYP1A2CYP1B1ALDH1A1GAA
SCHEMBL30065900 0.76 STS (0.53) STSCYP1A2CYP1B1ALDH1A1GAA
SCHEMBL5537604 0.76 STS (0.49) STSCYP1A2CYP1B1CYP2B6CA9
SCHEMBL276961 0.76 STS (0.53) STSCYP1A2CYP1B1CYP2B6CA9
SCHEMBL2011444 0.76 STS (0.49) STSCYP1A2CYP1B1CYP2B6CA9
SCHEMBL547263 0.76 STS (0.49) STSCYP2B6CA9CA1CA12
SCHEMBL4150416 0.76 STS (0.49) STSCYP1A2CYP1B1CYP2B6CA9
SCHEMBL29771885 0.76 STS (0.49) STSCYP2B6CA9CA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3582783-B1 7-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA INC (US) 2023-06-07 EP disclosed
EP-4086249-A2 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME Trevena, Inc. (US) 2022-11-09 EP disclosed
EP-3428171-B1 COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME LG CHEMICAL LTD (KR) 2020-09-16 EP disclosed
US-20200231564-A9 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2020-07-23 US disclosed
US-20190202803-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA INC (US) 2019-07-04 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed
US-9776967-B2 Carboxamide derivatives as pesticidal compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-10-03 US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
EP-3195861-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DRY EYE DISORDERS SARcode Bioscience Inc. (US) 2017-07-26 EP disclosed
WO-2009062285-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062289-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062308-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO disclosed
EP-0230941-B1 PHOTOPOLYMERISABLE COMPOSITION AND PHOTOPOLYMERISABLE REGISTRATION MATERIAL CONTAINING IT HOECHST AKTIENGESELLSCHAFT (DE) 1992-09-09 EP disclosed
EP-0363776-A2 Light-sensitive composition and light-sensitive copy material produced therewith HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-18 EP disclosed
US-4780393-A POLYMERIC BINDER, TERMINAL ETHYLENIC COMPOUND, PHOTOINITIATOR, LEVCO BASE OF TRIARYLMETHANE DYE AND PHOTOC ROMIC SPIRO-INDOLINO-BENZOPYRAN COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-25 US disclosed
EP-0230941-A2 Photopolymerisable composition and photopolymerisable registration material containing it HOECHST AKTIENGESELLSCHAFT (DE) 1987-08-05 EP 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 (3 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-20200231564-A9 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 STS 4599/4885CYP1A2 686/4885CYP1B1 421/4885
US-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 STS 849/4885CYP1A2 48/4885CYP1B1 3/4885
US-20190202803-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 STS 4599/4885CYP1A2 686/4885CYP1B1 421/4885

“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.