SCHEMBL5952985

SCHEMBL5952985

CC1=Cc2c(-c3cccc(C4CCCCC4)c3)cccc2C1[Zr](Cl)(Cl)(C1C(C)=Cc2c(-c3cccc(C4CCCCC4)c3)cccc21)[SiH](C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.32
PTPN5 P54829 2/20 0.30
PTPN2 P17706 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL5951608 0.89 S1PR1 (0.38) S1PR1S1PR5
SCHEMBL5952838 0.88 CTSS (0.33) KMOCTSSCTSK
SCHEMBL4469689 0.85 S1PR1 (0.35) S1PR1S1PR5
SCHEMBL4465897 0.85 S1PR1 (0.35) S1PR1S1PR5
SCHEMBL3403027 0.83 S1PR1 (0.34) S1PR1S1PR5
SCHEMBL2513992 0.82 S1PR1 (0.33) S1PR1S1PR5
SCHEMBL139769 0.82 ENPP3 (0.32)
SCHEMBL5952870 0.81 CEL (0.31)
SCHEMBL139278 0.81 ESR2 (0.35)
SCHEMBL136348 0.80 PDCD1 (0.30)

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 KMO 624/4885PTPN5 4692/4885PTPN2 4268/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 KMO 649/4885PTPN5 4701/4885PTPN2 4314/4885

“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.