SCHEMBL5952272

SCHEMBL5952272

CC(C)(O)C(C)(C)OB(O)c1ccccc1Br

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30

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
SCHEMBL5899432 0.82 TSHR (0.36) ENPP2ORAI1ORAI2ORAI3
SCHEMBL7409649 0.82
SCHEMBL22684752 0.81 ENPP2 (0.33) ENPP2ORAI1ORAI2ORAI3
SCHEMBL4520012 0.79 ENPP2 (0.32) ENPP2ORAI1ORAI2ORAI3PDK1
SCHEMBL3426496 0.79 ALDH1A1 (0.38) ENPP2ORAI1ORAI2ORAI3
SCHEMBL840950 0.79 ENPP2 (0.32) ENPP2ORAI1ORAI2ORAI3
SCHEMBL580069 0.79 LIPG (0.33) ENPP2
SCHEMBL3465794 0.78 ENPP2 (0.56) ENPP2ORAI1ORAI2ORAI3PDK1
SCHEMBL2704513 0.78 TRIM24 (0.34)
SCHEMBL16180703 0.77 ENPP2 (0.39) ENPP2ORAI1ORAI2ORAI3PDK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118370856-A Antibacterial and antioxidant composition and preparation method of diabetic ulcer dressing 青岛大学 2024-07-23 CN disclosed
CN-118370856-A Antibacterial and antioxidant composition and preparation method of diabetic ulcer dressing 青岛大学 2024-07-23 CN disclosed
CN-116253755-A Synthesis method of diaryl borate compound 湖南大学 2023-06-13 CN disclosed
US-10014475-B2 Graphene nanoribbons as semiconductors for organic thin film transistors EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2018-07-03 US disclosed
US-20160087212-A1 GRAPHENE NANORIBBONS AS SEMICONDUCTORS FOR ORGANIC THIN FILM TRANSISTORS CRESTLINE DIRECT FINANCE, L.P. 2016-03-24 US disclosed
WO-2014171931-A1 GRAPHENE NANORIBBONS AS SEMICONDUCTORS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-10-23 WO disclosed
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US 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 (4 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-10014475-B2 Graphene nanoribbons as semiconductors for organic thin film transistors STRA6, OR10J3, EPCAM ENPP2 4235/4885ORAI1 4668/4885ORAI2 3103/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ENPP2 4721/4885ORAI1 4605/4885ORAI2 1642/4885
US-20160087212-A1 GRAPHENE NANORIBBONS AS SEMICONDUCTORS FOR ORGANIC THIN FILM TRANSISTORS STRA6, OR10J3, EPCAM ENPP2 4235/4885ORAI1 4668/4885ORAI2 3103/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ENPP2 4773/4885ORAI1 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.