SCHEMBL1286694

SCHEMBL1286694

CCOC(=O)C1CCC(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
ALDH1A1 P00352 4/20 0.50
PPM1B O75688 1/20 0.46
PTPN1 P18031 1/20 0.46
PPP1CC P36873 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL15200245 1.00 MAPT (0.53) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL12332811 1.00 MAPT (0.53) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL13767916 0.94 MAPT (0.49) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL24352202 0.92 ALDH1A1 (0.57) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL22990900 0.92 ALDH1A1 (0.57) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL2375356 0.91 MAPT (0.60) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL4221 0.91
SCHEMBL8891623 0.91 MAPT (0.60) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL237380 0.91 MAPT (0.60) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL999804 0.89 MAPT (0.45) MAPTALDH1A1PPM1BPTPN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140030609-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2014-01-30 US claimed
US-4157435-A TITANIUM, ALUMINUM, SILOXANE COORDINATION CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1979-06-05 US claimed
CN-115557913-A Benzoazaheterocyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2023-01-03 CN disclosed
US-20220002242-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2022-01-06 US disclosed
US-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-06-17 US disclosed
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2021-03-30 US disclosed
EP-3782994-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS Loxo Oncology, Inc. (US) 2021-02-24 EP disclosed
EP-3390395-B1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY INC (US) 2020-09-09 EP disclosed
US-20190161442-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2019-05-30 US disclosed
US-20180118753-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2018-05-03 US disclosed
WO-2018034918-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE MERCK SHARP & DOHME CORP. (US) 2018-02-22 WO disclosed
WO-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2005012256-A1 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed
US-4507290-A CONTRACEPTIVE WORLD HEALTH ORGANIZATION (CH) 1985-03-26 US disclosed
US-4157435-A TITANIUM, ALUMINUM, SILOXANE COORDINATION CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1979-06-05 US disclosed
US-4085276-A CATALYST COMPOSED OF AN ORGANOMETALLIC COMPOUND AND THE REACTION PRODUCT OF A MAGNESIUM COMPOUND AND A TITANIUM COMPOUND MITSUI PETROCHEMICAL INDUSTRIES LTD. (JA) 1978-04-18 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-20180118753-A1 IDO Inhibitors IDO1, IDO2, INMT MAPT 2933/4885ALDH1A1 1338/4885PPM1B 1761/4885
US-20190161442-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A MAPT 1898/4885ALDH1A1 2489/4885PPM1B 2973/4885
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A MAPT 1898/4885ALDH1A1 2489/4885PPM1B 2973/4885
US-20220002242-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A MAPT 1898/4885ALDH1A1 2489/4885PPM1B 2973/4885
US-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOS2, SOST MAPT 4452/4885ALDH1A1 2728/4885PPM1B 38/4885

“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.