SCHEMBL690558

SCHEMBL690558

COc1ccc(C(C)(C)C)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.53
PPARG P37231 2/20 0.53
PPARA Q07869 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
CYP2C19 P33261 1/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 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
SCHEMBL9187252 0.98 NR1H4 (0.52) NR1H4PPARGPPARATDP1ALDH1A1
SCHEMBL8260775 0.86 MAPT (0.49) NR1H4PPARGPPARAMAPTNPSR1
SCHEMBL106530 0.86 ALDH1A1 (0.59) NR1H4PPARGPPARATDP1ALDH1A1
SCHEMBL345774 0.84 KDM4E (0.58) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL10592570 0.84 TDP1 (0.51) NR1H4PPARGPPARATDP1ALDH1A1
SCHEMBL334219 0.84 TDP1 (0.51) NR1H4PPARGPPARATDP1ALDH1A1
SCHEMBL2788529 0.84 ALDH1A1 (0.48) NR1H4ALDH1A1MAPTNPSR1CYP2C19
SCHEMBL2977001 0.84 MAPT (0.48) NR1H4ALDH1A1KDM4EHPGDMAPT
SCHEMBL2989587 0.84 MAPT (0.56) NR1H4ALDH1A1KDM4EHPGDMAPT
Zinc Ion SCHEMBL9187244 0.84 MAPT (0.48) NR1H4ALDH1A1HPGDMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2025-08-05 US disclosed
US-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-04 US disclosed
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-06-06 US disclosed
US-RE48841-E1 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-12-07 US disclosed
US-20210355113-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-11-18 US disclosed
US-20210347781-A1 Disubstituted Octahydropyrrolo[3,4-c]Pyrroles As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2021-11-11 US disclosed
US-11059828-B2 Disubstituted octahydropyrrolo[3,4-C]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-07-13 US disclosed
EP-3523277-B1 SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS ABBVIE OVERSEAS SARL (LU) 2021-06-30 EP disclosed
US-10947242-B2 [1,2,4]triazolo[1,5and#8208;A]pyrimidine compounds as PDE2 inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2021-03-16 US disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
WO-2005034840-A2 IDENTIFICATION OF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2005-04-21 WO disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
EP-1485088-A1 OPIOID RECEPTOR ACTIVE 4-(3-HYDROXYPHENYL) OR 4-(3-ALKOXYPHENYL)-1,2,4-TRIAZOLE COMPOUNDS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2004-12-15 EP disclosed
US-20030225072-A1 Opioid receptor active compounds CURATORS OF THE UNIVERSITY OF MISSOURI, THE 2003-12-04 US disclosed
WO-2003066050-A1 OPIOID RECEPTOR ACTIVE 4-(3-HYDROXYPHENYL) OR 4-(3-ALKOXYPHENYL)-1,2,4-TRIAZOLE COMPOUNDS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2003-08-14 WO disclosed
EP-0271081-B1 COLOUR DEVELOPER MATERIAL FOR PRESSURE-SENSITIVE RECORDING SHEETS, AND RECORDING SHEETS CONTAINING THIS MATERIAL JUJO PAPER CO., LTD. (JP) 1991-01-02 EP disclosed
EP-0338808-A2 Alkyl salicylate resin for carbonless copy paper and imaging use SCHENECTADY INTERNATIONAL, INC. (US) 1989-10-25 EP disclosed
EP-0271081-A2 Colour developer material for pressure-sensitive recording sheets, and recording sheets containing this material JUJO PAPER CO., LTD. (JP) 1988-06-15 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 (9 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-20030225072-A1 Opioid receptor active compounds OPRL1, OPRM1, OPRK1 NR1H4 83/4885PPARG 1264/4885PPARA 1796/4885
US-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR NR1H4 326/4885PPARG 1826/4885PPARA 1032/4885
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR NR1H4 326/4885PPARG 1826/4885PPARA 1032/4885
US-20210347781-A1 Disubstituted Octahydropyrrolo[3,4-c]Pyrroles As Orexin Receptor Modulators HCRTR2, HCRTR1, OXTR NR1H4 326/4885PPARG 1826/4885PPARA 1032/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 NR1H4 260/4885PPARG 2768/4885PPARA 2420/4885
US-11059828-B2 Disubstituted octahydropyrrolo[3,4-C]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR NR1H4 326/4885PPARG 1826/4885PPARA 1032/4885
US-10947242-B2 [1,2,4]triazolo[1,5and#8208;A]pyrimidine compounds as PDE2 inhibitors PDE2A, PDE12, PDE5A NR1H4 4273/4885PPARG 2038/4885PPARA 2622/4885
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR NR1H4 326/4885PPARG 1826/4885PPARA 1032/4885
US-20210355113-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT NR1H4 1479/4885PPARG 3794/4885PPARA 3921/4885

“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.