SCHEMBL5952858

SCHEMBL5952858

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL5951483 0.91 DRD2 (0.31) DRD2DRD1HTR1AHTR7
SCHEMBL139769 0.88 ENPP3 (0.32)
SCHEMBL5952016 0.88 HTR2C (0.32)
SCHEMBL139278 0.86 ESR2 (0.35) HTR1AHTR7
SCHEMBL136348 0.86 PDCD1 (0.30)
SCHEMBL5952008 0.86 DRD2 (0.31) DRD2DRD1HTR1AHTR7
SCHEMBL141196 0.85 MAOB (0.31)
SCHEMBL5951381 0.85 BRD4 (0.32) HTR7
SCHEMBL5836947 0.85 RORC (0.36) HTR1AHTR7
SCHEMBL5952178 0.84 KDM4E (0.33)

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 DRD2 1803/4885DRD1 1896/4885HTR1A 2570/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 DRD2 1860/4885DRD1 1566/4885HTR1A 2132/4885

“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.