SCHEMBL6734969

SCHEMBL6734969

CCOc1cc(C#N)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.56
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 7/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 5/20 0.47
MAPK1 P28482 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
TOP2A P11388 1/20 0.45
NPSR1 Q6W5P4 3/20 0.45
TSHR P16473 3/20 0.45
LMNA P02545 3/20 0.45
POLB P06746 3/20 0.45

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
SCHEMBL6954239 0.86 TRPV4 (0.53) TRPV4ALDH1A1MEN1KMT2AMAPT
SCHEMBL1402437 0.83 TRPV4 (0.61) TRPV4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17106429 0.82 TRPV4 (0.39) TRPV4ALDH1A1MEN1KMT2AMAPT
SCHEMBL6899032 0.82 ALDH1A1 (0.56) TRPV4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5418640 0.81 TRPV4 (0.59) TRPV4ALDH1A1
SCHEMBL13126997 0.81 IDO1 (0.45) TRPV4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL459931 0.79 MAOB (0.55) ALDH1A1MEN1KMT2AHPGDMAPK1
SCHEMBL29804271 0.79 MAOB (0.55) ALDH1A1MEN1KMT2AHPGDMAPK1
SCHEMBL14468631 0.79 TRPV4 (0.54) TRPV4GAA
SCHEMBL1964286 0.79 TRPV4 (0.56) TRPV4ALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774041-B2 Process for the preparation of apremilast Rao, Davuluri Ramamohan (IN) 2020-09-15 US claimed
US-20190071401-A1 Improved Process for the Preparation of Apremilast DAVULURI RAMAMOHAN RAO (IN) 2019-03-07 US claimed
US-20180037843-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2018-02-08 US claimed
WO-2017179065-A1 IMPROVED PROCESS FOR THE PREPARATION OF APREMILAST DAVULURI RAMAMOHAN RAO (IN) 2017-10-19 WO claimed
EP-2723841-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2017-01-04 EP claimed
US-20160186093-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2016-06-30 US claimed
US-9309487-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2016-04-12 US claimed
US-20140378360-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2014-12-25 US claimed
EP-2723841-A1 PERFUME SYSTEMS The Procter and Gamble Company (US) 2014-04-30 EP claimed
US-20120329696-A1 PERFUME SYSTEMS PROCTER & GAMBLE COMPANY, THE 2012-12-27 US claimed
WO-2012177357-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2012-12-27 WO claimed
CN-113861517-B Konjac glucomannan porous composite membrane, preparation method and application thereof 云南中烟工业有限责任公司 2022-11-18 CN disclosed
CN-113861517-A Konjac glucomannan porous composite membrane, preparation method and application thereof 云南中烟工业有限责任公司 2021-12-31 CN disclosed
EP-3590940-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2021-06-09 EP disclosed
EP-3502099-B1 CYCLIC COMPOUND ACTING AS PDE4 INHIBITOR MEDSHINE DISCOVERY INC (CN) 2020-12-09 EP disclosed
WO-2012177357-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2012-12-27 WO disclosed
US-20120329696-A1 PERFUME SYSTEMS PROCTER & GAMBLE COMPANY, THE 2012-12-27 US disclosed
WO-2012097116-A2 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES CELGENE CORPORATION (US) 2012-07-19 WO disclosed
US-6790977-B2 REACTING THE 3,4-DIALKOXY BENZONITRILE WITH AN ALKALI METAL HALIDE, FOLLOWED BY TREATING WITH HYDROCHLORIC ACID; HIGH YIELD AND A LOW COST STARTING MATERIAL SINON CORPORATION (TW) 2004-09-14 US disclosed
US-20040024239-A1 Process for preparing 3,4-dihydroxy-benzonitrile SINON CORPORATION (TW) 2004-02-05 US 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-10774041-B2 Process for the preparation of apremilast CMA1, APRT, QDPR TRPV4 3126/4885ALDH1A1 27/4885MEN1 2857/4885
US-20180037843-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 TRPV4 134/4885ALDH1A1 1292/4885MEN1 3884/4885
US-20040024239-A1 Process for preparing 3,4-dihydroxy-benzonitrile PAH, HCN4, HPD TRPV4 297/4885ALDH1A1 303/4885MEN1 1383/4885
US-20120329696-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 TRPV4 134/4885ALDH1A1 1292/4885MEN1 3884/4885
US-20190071401-A1 Improved Process for the Preparation of Apremilast QDPR, CMA1, ACE TRPV4 3620/4885ALDH1A1 29/4885MEN1 2853/4885

“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.