SCHEMBL905300

SCHEMBL905300

COC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.57
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.49
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
GAA P10253 1/20 0.48
XBP1 P17861 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.45
PRKCA P17252 1/20 0.44
CYP17A1 P05093 3/20 0.44
CYP19A1 P11511 3/20 0.44
P2RX7 Q99572 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
SCHEMBL17586310 0.90
SCHEMBL15831171 0.89 GLA (0.47) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL12558822 0.87 GLA (0.46) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL163027 0.86 NPSR1 (0.53) GLAALDH1A1MEN1KMT2ANPSR1
SCHEMBL13495293 0.84 GLA (0.43) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL29596750 0.84 GLA (0.43) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL1031984 0.84 GLA (0.43) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL1035514 0.84 GLA (0.43) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL15149194 0.84 GLA (0.43) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL29181615 0.84 GLA (0.47) GLAALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317708-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-09-26 US claimed
EP-4192812-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-09-04 EP claimed
EP-4192813-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-08-14 EP claimed
CN-117800842-A Synthesis method of adamantane methacrylate resin monomer containing carboxyl 西安瑞联新材料股份有限公司 2024-04-02 CN claimed
CN-116806217-A Substituted cyclic modulators of protein phosphatase 2A (PP 2A) and methods of use thereof 拉帕塔疗法公司 2023-09-26 CN claimed
CN-105294428-B 2-adamantanecarboxylic acid and 1-adamantane methanol separation and purification method 浙江师范大学 2017-05-10 CN claimed
CN-103613603-B Trithio is for adamantane derivative, its preparation method and application SUZHOU QINGSHAN BIOTECHNOLOGY CO., LTD. (CN) 2016-05-25 CN claimed
CN-105294428-A 2-adamantanecarboxylic acid and 1-adamantane methanol separation and purification method UNIV ZHEJIANG NORMAL 2016-02-03 CN claimed
EP-2272825-B1 Protected amino hydroxy adamantane carboxylic acid and process for its preparation ASTRAZENECA AB (SE) 2015-11-04 EP claimed
WO-2014057495-A1 A PROCESS FOR INDUSTRIAL PREPARATION OF [(S)-N-TERT BUTOXYCARBONYL-3-HYDROXY]ADAMANTYLGLYCINE LEE PHARMA LIMITED (IN) 2014-04-17 WO claimed
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP claimed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
EP-1559710-A2 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV, process for their preparation and their use Bristol-Myers Squibb Company (US) 2005-08-03 EP claimed
US-20040242465-A1 Nucleotide analogs BISCHOFBERGER NORBERT W (US) 2004-12-02 US claimed
US-20010041794-A1 Nucleotide analogs GILEAD SCIENCES, INC. 2001-11-15 US claimed
US-6225460-B1 PHOSPHOAMIDATE OR ESTER BOND THAT IS HYDROLYZED IN VIVO TO YIELD A CORRESPONDING PHOSPHONATE NUCLEOTIDE ANALOG. GILEAD SCIENCES, INC. 2001-05-01 US claimed
US-5656745-A AMIDATE LINKAGE; ANTITUMOR, ANTICARCINOGENIC AGENTS GILEAD SCIENCES, INC. (US) 1997-08-12 US claimed
EP-0719273-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1996-07-03 EP claimed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US claimed
WO-1995007920-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1995-03-23 WO 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 (3 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-20040242465-A1 Nucleotide analogs PNP, NUDT1, TYMP GLA 1418/4885ALDH1A1 4101/4885MAPT 4469/4885
US-20010041794-A1 Nucleotide analogs PNP, NUDT1, TYMP GLA 1418/4885ALDH1A1 4101/4885MAPT 4469/4885
US-20240317708-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 GLA 17/4885ALDH1A1 1825/4885MAPT 989/4885

“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.