SCHEMBL94958

SCHEMBL94958

[O]CCCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
SIGMAR1 Q99720 9/20 0.58
MAOA P21397 1/20 0.56
MAOB P27338 2/20 0.54
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
CASP1 P29466 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52

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
SCHEMBL1006398 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL95367 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL999365 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL1006411 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL1006936 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL1006131 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL1006371 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL1006478 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL999810 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL1008972 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB

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 1655 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110526832-B Method for preparing polysubstituted alicyclic compound 浙江师范大学 2022-06-10 CN claimed
CN-107963982-B Polyisocyanate composition and isocyanate polymer composition 旭化成株式会社 2021-11-12 CN claimed
EP-2612656-B1 PROCESS FOR PRODUCING DRUG BLOCK-COPOLYMER COMPOSITE AND PHARMACEUTICAL PRODUCT CONTAINING SAME NIPPON KAYAKU KK (JP) 2020-02-26 EP claimed
CN-110526832-A A method of preparing polysubstituted alicyclic compound UNIV ZHEJIANG NORMAL 2019-12-03 CN claimed
CN-106176721-A The cancer prevention of organic selenium compounds and therapeutic use 深圳福山生物科技有限公司 2016-12-07 CN claimed
CN-106146372-A For preventing and treat the organic selenium compounds of cancer 深圳福山生物科技有限公司 2016-11-23 CN claimed
EP-1661892-B1 CONDENSED RING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-07-24 EP claimed
CN-103130705-A Benzo five-membered unsaturated heterocyclic compound or pharmaceutically acceptable salt thereof, and preparation method, pharmaceutical composition and application thereof INST MEDICINAL BIOTECHNOLOGY 2013-06-05 CN claimed
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US claimed
EP-2481732-A1 Condensed ring compound and use thereof Ono Pharmaceutical Co., Ltd. (JP) 2012-08-01 EP claimed
EP-1606019-A1 CANNABINOID RECEPTOR INVERSE AGONISTS AND NEUTRAL ANTAGONISTS AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE DISORDERS The University Court of The University of Aberdeen (GB) 2005-12-21 EP claimed
US-20050215526-A1 Melanin concentrating hormone receptor antagonist AMGEN, INC. 2005-09-29 US claimed
WO-2005019167-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN, INC. (US) 2005-03-03 WO claimed
WO-2004078261-A1 CANNABINOID RECEPTOR INVERSE AGONISTS AND NEUTRAL ANTAGONISTS AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE DISORDERS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2004-09-16 WO claimed
US-6245774-B1 ANTIINFLAMMATORY AGENTS; BRONCHODILATOR AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 2001-06-12 US claimed
EP-0758320-A1 TRYPTAMINE DERIVATIVES AS 5-HT-1D RECEPTOR LIGANDS Allelix Biopharmaceuticals Inc. (CA) 1997-02-19 EP claimed
US-5504101-A TRYPTAMINE ANALOGS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1996-04-02 US claimed
WO-1995030655-A1 TRYPTAMINE DERIVATIVES AS 5-HT-1D RECEPTOR LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1995-11-16 WO claimed
CN-1086805-A (mixing) aryl compound that replaces, its preparation method, its preparation and purposes HOECHST AG (DE) 1994-05-18 CN claimed
CN-1039023-A The HMG CoA reductase of 5-oxidation is torn preparation open MERCK & CO INC (US) 1990-01-24 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 MAPT 4683/4885RXFP1 317/4885SIGMAR1 494/4885
US-20050215526-A1 Melanin concentrating hormone receptor antagonist MCHR1, MC1R, NPY1R MAPT 321/4885RXFP1 28/4885SIGMAR1 179/4885

“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.