SCHEMBL5951890

SCHEMBL5951890

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
NR4A2 P43354 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
SCHEMBL5836109 0.92
SCHEMBL5352867 0.88 BRD4 (0.31) BRD4CREBBP
SCHEMBL5951280 0.86 RXRA (0.32) RXRARXRBRXRGBRD4CREBBP
SCHEMBL139769 0.85 ENPP3 (0.32)
SCHEMBL139278 0.84 ESR2 (0.35)
SCHEMBL136348 0.84 PDCD1 (0.30)
SCHEMBL141196 0.83 MAOB (0.31)
SCHEMBL5952858 0.83 DRD2 (0.32)
SCHEMBL2512543 0.83
SCHEMBL5951381 0.83 BRD4 (0.32) BRD4CREBBP

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 RXRA 3259/4885RXRB 2876/4885RXRG 2989/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 RXRA 3400/4885RXRB 3069/4885RXRG 3213/4885

“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.