SCHEMBL5952636

SCHEMBL5952636

CC(C)C(C)(C)OB(O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.38
ORAI1 Q96D31 4/20 0.38
ORAI2 Q96SN7 4/20 0.38
ORAI3 Q9BRQ5 4/20 0.38
PCSK9 Q8NBP7 2/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
ENPP2 Q13822 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.33
RIPK1 Q13546 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL5952711 0.83 CA2 (0.43) TRPV6ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL5952228 0.80 CA1 (0.49) HIF1ACYP1A2CYP2D6TSHRSLC6A4
SCHEMBL26452 0.79 TRPV6 (0.44) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL25376692 0.78 TRPV6 (0.42) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL5951160 0.78 CYP1A2 (0.33) ALDH1A1CYP1A2TSHR
SCHEMBL5952628 0.75 ORAI1 (0.34) ORAI1ORAI2ORAI3ENPP2CYP2C19
SCHEMBL5953307 0.75
SCHEMBL119711 0.74 TRPV6 (0.39) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL1507183 0.74 TRPV6 (0.39) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL5952624 0.73 TRPA1 (0.39) CYP2C19HIF1ARIPK1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 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.