SCHEMBL5952943

SCHEMBL5952943

CCC(C)OB(O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.43
LIPG Q9Y5X9 2/20 0.43
CA2 P00918 2/20 0.43
ORAI1 Q96D31 1/20 0.43
ORAI2 Q96SN7 1/20 0.43
ORAI3 Q9BRQ5 1/20 0.43
TRPV6 Q9H1D0 1/20 0.43
HPGD P15428 1/20 0.31
CA1 P00915 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
SCHEMBL5952719 0.83 PCSK9 (0.40) ORAI1ORAI2ORAI3TRPV6
SCHEMBL1997852 0.79 CA1 (0.50) CA2HPGDCA1
SCHEMBL5953336 0.72 LPL (0.50) LPLLIPGCA2ORAI1ORAI2
SCHEMBL5586183 0.71 ORAI1 (0.67) LPLLIPGCA2ORAI1ORAI2
P-Xylene SCHEMBL8750425 0.71 ACHE (0.42) CA2CA1
SCHEMBL2140994 0.69 LPL (0.46) LPLLIPGCA2ORAI1ORAI2
SCHEMBL14282970 0.69 CA2 (0.56) LPLLIPGCA2ORAI1ORAI2
SCHEMBL5952699 0.67 CA2 (0.42) LPLLIPGCA2ORAI1ORAI2
SCHEMBL3918805 0.67 CA2 (0.54) LPLLIPGCA2ORAI1ORAI2
SCHEMBL27965000 0.67 CA2 (0.54) LPLLIPGCA2ORAI1ORAI2

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 LPL 4804/4885LIPG 4401/4885CA2 4329/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 LPL 4825/4885LIPG 4535/4885CA2 4267/4885

“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.