SCHEMBL1226528

SCHEMBL1226528

CC(C)OB(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.44
ORAI1 Q96D31 3/20 0.44
ORAI2 Q96SN7 3/20 0.44
ORAI3 Q9BRQ5 3/20 0.44
ENPP2 Q13822 3/20 0.44
PCSK9 Q8NBP7 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.38
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
MGLL Q99685 2/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5952719 0.79 PCSK9 (0.40) TRPV6ORAI1ORAI2ORAI3ENPP2
SCHEMBL1429795 0.78 TRPV6 (0.41) TRPV6ORAI1ORAI2ORAI3ENPP2
SCHEMBL15570627 0.77 TRPV6 (0.44) TRPV6ORAI1ORAI2ORAI3ENPP2
SCHEMBL28423595 0.77 ENPP2 (0.39) TRPV6ORAI1ORAI2ORAI3ENPP2
SCHEMBL7461066 0.76 ORAI1 (0.52) TRPV6ORAI1ORAI2ORAI3ENPP2
SCHEMBL2400555 0.76 ORAI1 (0.40) TRPV6ORAI1ORAI2ORAI3ENPP2
SCHEMBL5951344 0.75 TRPV6 (0.38) TRPV6ORAI1ORAI2ORAI3ENPP2
SCHEMBL14697344 0.74 TRPV6 (0.53) TRPV6ORAI1ORAI2ORAI3CA1
SCHEMBL691860 0.73 ENPP2 (0.50) TRPV6ORAI1ORAI2ORAI3ENPP2
SCHEMBL10494382 0.73 ORAI1 (0.37) TRPV6ORAI1ORAI2ORAI3ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111171721-B Ceramizable ablation-resistant coating and preparation method thereof 西安近代化学研究所 2021-08-20 CN claimed
CN-107540574-B Preparation method of R-biphenylalaninol 成都西岭源药业有限公司 2021-06-11 CN claimed
CN-111171721-A Ceramizable ablation-resistant coating and preparation method thereof 西安近代化学研究所 2020-05-19 CN claimed
CN-109467662-A A kind of RTM type boron bakelite resin and preparation method thereof 北京玻钢院复合材料有限公司 2019-03-15 CN claimed
CN-109456571-A A kind of heat molten type boron bakelite resin and preparation method thereof 北京玻钢院复合材料有限公司 2019-03-12 CN claimed
CN-105086351-B A kind of hot melt phenolic resin preimpregnation material and preparation method thereof 西安交通大学 2018-07-17 CN claimed
CN-105086351-A Hot-melting phenolic resin prepreg and preparation method thereof UNIV XI AN JIAOTONG 2015-11-25 CN claimed
CN-103289033-B Containing aryl boron bakelite resin and preparation method thereof XI'AN JIAOTONG UNIVERSITY (CN) 2015-10-28 CN claimed
CN-119708891-A Organic silicon oligomer intercalated montmorillonite, preparation method thereof, modified hot melt boron phenolic resin and preparation method thereof 西安交通大学 2025-03-28 CN 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
EP-4431504-A1 AROMATIC HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Institute of Material Medica, Chinese Academy of Sciences (CN) 2024-09-18 EP disclosed
CN-117903387-A Low-free aldehyde hot-melt boron phenolic resin and preparation method thereof 西安交通大学 2024-04-19 CN disclosed
US-20230181462-A1 Dynamic Covalent Hydrogels, Precursors Thereof and Uses Thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-06-15 US disclosed
CN-115812085-A Dynamic covalent hydrogels, precursors thereof and uses thereof 国家科学研究中心 2023-03-17 CN disclosed
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
WO-2006044456-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2006-04-27 WO disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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 (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-20230181462-A1 Dynamic Covalent Hydrogels, Precursors Thereof and Uses Thereof CDC37, ILK, PTMS TRPV6 4224/4885ORAI1 4159/4885ORAI2 4627/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A TRPV6 4172/4885ORAI1 4605/4885ORAI2 1642/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 TRPV6 4133/4885ORAI1 4577/4885ORAI2 1594/4885

“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.