SCHEMBL5952628

SCHEMBL5952628

CC(C)C(C)(C)OB(O)c1ccccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
ENPP2 Q13822 1/20 0.32
HIF1A Q16665 2/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
BLM P54132 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4520012 0.78 ENPP2 (0.32) ORAI1ORAI2ORAI3ENPP2
SCHEMBL5951635 0.78 ALDH1A1 (0.36) ORAI1ORAI2ORAI3ADRB2ADRB1
SCHEMBL5952636 0.75 TRPV6 (0.38) ORAI1ORAI2ORAI3ENPP2HIF1A
SCHEMBL16104430 0.74 ENPP2 (0.45) ORAI1ORAI2ORAI3ENPP2ALDH1A1
SCHEMBL17613263 0.71
SCHEMBL5951160 0.69 CYP1A2 (0.33) ALDH1A1MAPT
SCHEMBL29404220 0.69 TSHR (0.47) ORAI1ORAI2ORAI3ENPP2ALDH1A1
SCHEMBL4129 0.69 TSHR (0.47) ORAI1ORAI2ORAI3ENPP2ALDH1A1
SCHEMBL31125058 0.69 ENPP2 (0.39) ORAI1ORAI2ORAI3ENPP2ADRB2
SCHEMBL27933411 0.69 TSHR (0.38) ORAI1ORAI2ORAI3ENPP2ALDH1A1

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-1762957-B 2,3-dihydro-1-indene compound and preparation method thereof BASELL POLYOLEFINE GMBH 2010-05-12 CN disclosed
CN-100451024-C Metallocene compound, indene compound and application thereof BASELL POLYOLEFINE GMBH (DE) 2009-01-14 CN disclosed
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
CN-1762957-A 2,3-dihydro-1-indene compound and preparation method thereof BASELL POLYOLEFINE GMBH (DE) 2006-04-26 CN disclosed
CN-1763060-A Metallocene compound, indene compound and application thereof BASELL POLYOLEFINE GMBH (DE) 2006-04-26 CN disclosed
CN-1231431-C Process for preparing substituted 2, 3-dihydro-1-indanones TARGOR GMBH (DE) 2005-12-14 CN 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
CN-1254328-A Process for preparing substituted 2, 3-dihydro-1-indanones TARGOR GMBH (DE) 2000-05-24 CN 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 (2 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ORAI1 4605/4885ORAI2 1642/4885ORAI3 2626/4885
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.