SCHEMBL5951653

SCHEMBL5951653

CCC1=Cc2c(-c3ccccc3C(F)(F)F)cccc2C1[Zr](Cl)(Cl)(C1C(CC)=Cc2c(-c3ccccc3C(F)(F)F)cccc21)[SiH](C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.34
P2RX7 Q99572 1/20 0.31
HSD11B1 P28845 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL5890745 0.91 CTSK (0.33) HSD11B1
SCHEMBL5891076 0.89 HSD11B1 (0.33) HSD11B1
SCHEMBL5953175 0.88 EDNRB (0.34)
SCHEMBL5890402 0.88
SCHEMBL5837001 0.86 HSD11B1 (0.34) TRPA1HSD11B1TRPM8TRPV1
SCHEMBL8458423 0.84
SCHEMBL8462572 0.84
SCHEMBL5889674 0.84 HTR2A (0.31) HSD11B1
SCHEMBL5890587 0.84
SCHEMBL5951141 0.83 CSNK2A2 (0.32)

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 TRPA1 3969/4885P2RX7 3628/4885HSD11B1 650/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 TRPA1 3711/4885P2RX7 3663/4885HSD11B1 654/4885

“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.