SCHEMBL114175

SCHEMBL114175

CO[CH]OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAOB P27338 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.39
TP53 P04637 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL666545 0.85 TSHR (0.57) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL1535619 0.80 TSHR (0.46) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL16594360 0.80 TSHR (0.46) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL16594361 0.80 TSHR (0.46) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL7054396 0.77 TSHR (0.43) TSHRIDO1AGXTALDH1A1MAPT
SCHEMBL58206 0.76 TSHR (0.52) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL7054637 0.76 TSHR (0.46) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL15536184 0.74 TSHR (0.44) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL6873209 0.73 TSHR (0.55) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL201538 0.73 TSHR (0.48) TSHRIDO1AGXTALDH1A1MAOB

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 1120 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110267958-A Process for preparing pyrazolo [1,5-a ] pyrimidines and salts thereof 阿雷生物药品公司 2019-09-20 CN claimed
EP-3532475-A2 PROCESS FOR THE PREPARATION OF PYRAZOLO[1,5-a]PYRIMIDINES AND SALTS THEREOF Array Biopharma Inc. (US) 2019-09-04 EP claimed
CN-109705063-A The synthetic method of entecavir midbodies and its synthetic method and Entecavir 广州市朗启医药科技有限责任公司 2019-05-03 CN claimed
WO-2019005796-A1 PROCESS FOR THE PREPARATION OF PYRAZOLO[1,5-a]PYRIMIDINES AND SALTS THEREOF ZHAO QIAN (US) 2019-01-03 WO claimed
CN-108276408-A A kind of intermediate of tributidine and its preparation method and application 上海皓元医药股份有限公司 2018-07-13 CN claimed
WO-2018081417-A2 PROCESS FOR THE PREPARATION OF PYRAZOLO[1,5-a]PYRIMIDINES AND SALTS THEREOF ZHAO QIAN (US) 2018-05-03 WO claimed
EP-3291792-A2 PROCESS FOR TREATING KERATIN MATERIALS USING AMIDE, ACID OR ESTER C-GLYCOSIDE DERIVATIVES, AND COSMETIC COMPOSITION CONTAINING SAME L'Oréal (FR) 2018-03-14 EP claimed
CN-103159808-B A kind of process for preparing natural sweetener 上海泓博智源医药股份有限公司 2017-03-29 CN claimed
WO-2016177908-A2 PROCESS FOR TREATING KERATIN MATERIALS USING AMIDE, ACID OR ESTER C-GLYCOSIDE DERIVATIVES, AND COSMETIC COMPOSITION CONTAINING SAME L'OREAL (FR) 2016-11-10 WO claimed
CN-103221382-B Preparation pet precursor GE HEALTHCARE LTD. (GB) 2016-06-01 CN claimed
WO-2008047174-A1 ALPHA-GALACTOSYLCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-04-24 WO claimed
EP-1740522-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D SB 3 /SB RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-10 EP claimed
US-6982263-B2 Nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-03 US claimed
WO-2005087700-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D3 RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-22 WO claimed
US-20030119827-A1 Novel nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-06-26 US claimed
EP-0711773-B1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LTD (JP) 2001-09-12 EP claimed
WO-1998016537-A1 NOVEL COMPOUNDS ASTRA AKTIEBOLAG (PUBL) (SE) 1998-04-23 WO claimed
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP claimed
US-5620999-A ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT G.D. SEARLE & CO. 1997-04-15 US claimed
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 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 (1 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-20030119827-A1 Novel nitriles useful as reversible inhibitors of cysteine proteases NOS1, CTSK, CTSS TSHR 3975/4885IDO1 2223/4885AGXT 4003/4885

“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.