SCHEMBL3132576

SCHEMBL3132576

Cc1ccc2c(c1)C=CCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.42
CYP1A2 P05177 4/20 0.40
CYP1B1 Q16678 3/20 0.40
STS P08842 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP12 P39900 1/20 0.36
ADRA2A P08913 1/20 0.35
CA9 Q16790 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 1/20 0.32
CYP1A1 P04798 3/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
CHEK1 O14757 1/20 0.31
CYP19A1 P11511 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR1A P08908 1/20 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
SCHEMBL6917419 0.84 STS (0.49) CYP2B6CYP1A2CYP1B1STSMAPT
SCHEMBL3199320 0.80 AHR (0.45) CYP2B6CYP1A2CYP1B1STSMAPT
SCHEMBL4550984 0.76 CYP2B6 (0.46) CYP2B6CYP1A2CYP1B1STSCA9
SCHEMBL5545197 0.76 CYP2B6 (0.42) CYP2B6CYP1A2CYP1B1STSCA9
SCHEMBL5390733 0.76 CYP2B6 (0.42) CYP2B6CYP1A2CYP1B1STSCA9
SCHEMBL18617980 0.76 CYP2B6 (0.42) CYP2B6CYP1A2CYP1B1STSCA9
SCHEMBL2007996 0.76 CYP2B6 (0.42) CYP2B6CYP1A2CYP1B1STSCA9
SCHEMBL1192912 0.76 CYP3A4 (0.45) CYP2B6CYP1A2CYP1B1STSMAPT
SCHEMBL277261 0.76 CYP2B6 (0.46) CYP2B6CYP1A2CYP1B1STSCA9
SCHEMBL6957005 0.76 CA1 (0.44) CYP2B6CYP1A2CYP1B1STSMAPT

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 27 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
US-9776967-B2 Carboxamide derivatives as pesticidal compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-10-03 US disclosed
US-20170210725-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2017-07-27 US disclosed
WO-2017105999-A1 N-[[5-[[[1-(PHENYL)ETHYLIDENE]AMINO]OXY]PHENYL]-METHYL]CARBAMATE DERIVATIVES AND RELATED COMPOUNDS AS FUNGICIDES FOR CONTROLLING PLANT DISEASES E I DU PONT DE NEMOURS AND COMPANY (US) 2017-06-22 WO disclosed
WO-2017040545-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. (US) 2017-03-09 WO disclosed
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2016-08-04 US disclosed
WO-2016049586-A2 NON-BETA LACTAM ANTIBIOTICS UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-03-31 WO disclosed
US-9290487-B2 Pharmaceutical composition for treating diabetes AJINOMOTO CO., INC. (JP) 2016-03-22 US disclosed
US-8921360-B2 Heterobicycle-substituted azolyl benzene fungicides E. I. DU PONT DE NEMOURS AND COMPANY 2014-12-30 US disclosed
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF WANG SHAOMENG (US) 2011-12-29 US disclosed
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF WANG SHAOMENG (US) 2011-12-29 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
WO-2011059619-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-19 WO disclosed
EP-0936211-B1 Aryl-acrylic acid esters useful as precursors for organoleptic compounds GIVAUDAN SA (CH) 2010-07-07 EP disclosed
CN-1289460-C Aryl-acrylic acid esters GIVAUDAN ROURE INTERNAT S A (CH) 2006-12-13 CN disclosed
US-6096918-A USEFUL FOR THE DELIVERY OF ORGANOLEPTIC COMPOUNDS, ESPECIALLY FOR FLAVORS, FRAGRANCES, MASKING AGENTS AND ANTIMICROBIAL COMPOUNDS. THEY CAN ALSO DELIVER FLUORESCENT WHITENING AGENTS. GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2000-08-01 US disclosed
CN-1227837-A Aryl-acrylic acid esters GIVAUDAN ROURE INT (CH) 1999-09-08 CN disclosed
EP-0936211-A2 Aryl-acrylic acid esters useful as precursors for organoleptic compounds Givaudan Roure (International) S.A. (CH) 1999-08-18 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 (4 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-20170210725-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 CYP2B6 388/4885CYP1A2 686/4885CYP1B1 421/4885
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A CYP2B6 1176/4885CYP1A2 1924/4885CYP1B1 1995/4885
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ACHE, DDT, NIT2 CYP2B6 563/4885CYP1A2 152/4885CYP1B1 622/4885
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF STAT3, JAK2, STAT6 CYP2B6 4287/4885CYP1A2 4602/4885CYP1B1 4585/4885

“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.