SCHEMBL5952832

SCHEMBL5952832

CCC1c2c(OP(=O)(O)O)cccc2C(=O)C1(C)CC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 4/20 0.39
INPP5A Q14642 3/20 0.39
INPP5B P32019 2/20 0.39
SRC P12931 3/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PDE3A Q14432 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2A P28223 4/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
HTR1A P08908 1/20 0.31
AKT1 P31749 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL5951925 0.80 INPPL1 (0.39) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL5952374 0.75 INPPL1 (0.44) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL5952021 0.68 INPPL1 (0.37) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL5951744 0.62 INPPL1 (0.45) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL9645945 0.62 INPPL1 (0.61) INPPL1INPP5AINPP5BSRCKDM4E
Ether SCHEMBL8746888 0.61 KDM4E (0.46) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL9308174 0.61 INPPL1 (0.55) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL1192358 0.61 INPPL1 (0.46) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL446047 0.61 INPPL1 (0.46) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL3693358 0.60 KDM4E (0.56) INPPL1INPP5AINPP5BSRCKDM4E

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 INPPL1 2445/4885INPP5A 1278/4885INPP5B 1007/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 INPPL1 2482/4885INPP5A 1248/4885INPP5B 1021/4885

“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.