SCHEMBL651370

SCHEMBL651370

CC(=O)OB(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.42
ORAI2 Q96SN7 2/20 0.42
ORAI3 Q9BRQ5 2/20 0.42
TRPV6 Q9H1D0 2/20 0.42
PCSK9 Q8NBP7 2/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
ENPP2 Q13822 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.38
NAPRT Q6XQN6 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ELANE P08246 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ESR1 P03372 1/20 0.38
ITGB3 P05106 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
SCHEMBL6375208 0.88 ELANE (0.41) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL1672441 0.82 ORAI1 (0.46) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL28524847 0.80 ELANE (0.44) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL9621660 0.80 ALDH1A1 (0.44) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL13475992 0.80 ORAI1 (0.48) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL28664851 0.80 TRPV6 (0.44) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL1237453 0.79 KMT2A (0.42) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL20916961 0.78 LMNA (0.54) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL384014 0.78 ORAI1 (0.42) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL9982901 0.78 TRPV6 (0.42) ORAI1ORAI2ORAI3TRPV6PCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12116698-B1 Protein surface recognition via chemically enhanced phage display THE TRUSTEES OF BOSTON COLLEGE (MA) 2024-10-15 US claimed
CN-117126185-A Difluoro boron beta-diketonate complex fluorescent probe and preparation method and application thereof 西北工业大学深圳研究院 2023-11-28 CN claimed
US-11655468-B2 Methods and compositions of chemically modified phage libraries THE TRUSTEES OF BOSTON COLLEGE (MA) 2023-05-23 US claimed
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-111171721-A Ceramizable ablation-resistant coating and preparation method thereof 西安近代化学研究所 2020-05-19 CN claimed
US-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 US claimed
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM NEUROGENETIC PHARMACEUTICALS, INC 2010-12-30 US claimed
CN-120817797-B High-temperature heat-insulating refractory material for kiln and preparation method thereof 安徽瑞泰新材料科技有限公司 2025-11-14 CN disclosed
CN-120817797-A High-temperature heat-insulating refractory material for kiln and preparation method thereof 安徽瑞泰新材料科技有限公司 2025-10-21 CN disclosed
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
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
CN-117126185-A Difluoro boron beta-diketonate complex fluorescent probe and preparation method and application thereof 西北工业大学深圳研究院 2023-11-28 CN disclosed
WO-2006028875-A1 PHENANTHRIDINE CARBONYL PHENOLS AS CYTOKINE MODULATORS WYETH (US) 2006-03-16 WO disclosed
WO-2006001150-A1 POLYMER LIGHT-EMITTING MATERIAL AND ORGANIC LIGHT EMITTING ELEMENT SHOWA DENKO K.K. (JP) 2006-01-05 WO disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-1569637-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS Abbott Laboratories (US) 2005-09-07 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
WO-2004043458-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-05-27 WO 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 (8 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 ORAI1 3092/4885ORAI2 4056/4885ORAI3 3343/4885
US-12116698-B1 Protein surface recognition via chemically enhanced phage display APBA1, CLTB, APMAP ORAI1 3190/4885ORAI2 3385/4885ORAI3 3169/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ORAI1 4605/4885ORAI2 1642/4885ORAI3 2626/4885
US-12258331-B2 Pyrimidine derivative and preparation process and use thereof MTR, HCCS, MET ORAI1 3365/4885ORAI2 3782/4885ORAI3 3137/4885
US-12168654-B2 Pyrimidine derivative containing one deuterium atom and preparation process and use thereof DUT, TYMP, DCTD ORAI1 4213/4885ORAI2 4462/4885ORAI3 3779/4885
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM HYPK, APP, NEFM ORAI1 4216/4885ORAI2 4418/4885ORAI3 4454/4885
US-11655468-B2 Methods and compositions of chemically modified phage libraries CLTB, PTMS, RNPEP ORAI1 4735/4885ORAI2 4798/4885ORAI3 4813/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ORAI1 4577/4885ORAI2 1594/4885ORAI3 2480/4885

“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.