SCHEMBL363448

SCHEMBL363448

OCOB(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.46
ORAI1 Q96D31 3/20 0.46
ORAI2 Q96SN7 3/20 0.46
ORAI3 Q9BRQ5 3/20 0.46
PCSK9 Q8NBP7 2/20 0.46
ENPP2 Q13822 2/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TRPM2 O94759 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL117263 0.82 ALDH1A1 (0.45) TRPV6ORAI1ORAI2ORAI3PCSK9
Benzene SCHEMBL10445518 0.82 ALDH1A1 (0.45) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL1756154 0.79 KDM4E (0.47) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL1722636 0.79 PCSK9 (0.45) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL1129435 0.79 TRPV6 (0.44) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL1660275 0.79 TRPV6 (0.44) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL1491911 0.79 PCSK9 (0.41) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL4726793 0.78 TSHR (0.45) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL18550249 0.77 TSHR (0.46) TRPV6ORAI1ORAI2ORAI3PCSK9
Hydrochloric Acid SCHEMBL2526776 0.77 KMT2A (0.45) TRPV6ORAI1ORAI2ORAI3PCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP claimed
JP-2011526420-A 2011-10-06 JP claimed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO claimed
EP-2307398-A1 POLYMERISABLE COMPOUNDS FOR MAKING OPTO-ELECTRONIC DEVICES IMEC (BE) 2011-04-13 EP claimed
WO-2010000504-A1 POLYMERISABLE COMPOUNDS FOR MAKING OPTO-ELECTRONIC DEVICES INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM (BE) 2010-01-07 WO claimed
US-12258331-B2 Pyrimidine derivative and preparation process and use thereof GUANGDONG LEWWIN PHARMACEUTICAL RESEARCH INSTITUTE CO., LTD. (CN) 2025-03-25 US disclosed
US-12202820-B2 Pyrimidine derivative and preparation process and use thereof GUANGDONG LEWWIN PHARMACEUTICAL RESEARCH INSTITUTE CO., LTD. (CN) 2025-01-21 US disclosed
CN-119264347-A Degradable flame-retardant phenolic aerogel and preparation method and application thereof 中车成型科技(青岛)有限公司 2025-01-07 CN disclosed
CN-116239562-B Method for synthesizing doxepin hydrochloride by taking benzofuranone as raw material 江苏师范大学 2024-12-31 CN disclosed
US-12168654-B2 Pyrimidine derivative containing one deuterium atom and preparation process and use thereof GUANGDONG LEWWIN PHARMACEUTICAL RESEARCH INSTITUTE CO., LTD. (CN) 2024-12-17 US disclosed
WO-2024091983-A1 THERAPEUTIC AGENTS FOR ENHANCING EPITHELIAL AND/OR ENDOTHELIAL BARRIER FUNCTION ARTUS THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed
US-20230365532-A1 PYRIMIDINE DERIVATIVE AND PREPARATION PROCESS AND USE THEREOF Guangdong CS-Lewwin Drug Research Co., Ltd. (CN) 2023-11-16 US disclosed
EP-1620086-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION Warner-Lambert Company LLC (US) 2006-02-01 EP disclosed
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed
WO-2005035551-A2 INHIBITORS OF PROTEINS THAT BIND PHOSPHORYLATED MOLECULES INCYTE CORPORATION (US) 2005-04-21 WO disclosed
US-6875780-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
WO-2004091604-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation BRATTON LARRY D (US) 2004-10-21 US disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO 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-12202820-B2 Pyrimidine derivative and preparation process and use thereof MET, HCCS, MTR TRPV6 4203/4885ORAI1 3092/4885ORAI2 4056/4885
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARG, PPARD TRPV6 1367/4885ORAI1 4268/4885ORAI2 4275/4885
US-20230365532-A1 PYRIMIDINE DERIVATIVE AND PREPARATION PROCESS AND USE THEREOF MTR, HCCS, MET TRPV6 3944/4885ORAI1 3365/4885ORAI2 3782/4885
US-12258331-B2 Pyrimidine derivative and preparation process and use thereof MTR, HCCS, MET TRPV6 3944/4885ORAI1 3365/4885ORAI2 3782/4885
US-12168654-B2 Pyrimidine derivative containing one deuterium atom and preparation process and use thereof DUT, TYMP, DCTD TRPV6 4444/4885ORAI1 4213/4885ORAI2 4462/4885

“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.