SCHEMBL5951855

SCHEMBL5951855

C[SiH](C)[Zr](Cl)(Cl)(C1C(c2ccccc2)=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc21)C1C(c2ccccc2)=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
TACR1 P25103 8/20 0.32
RORC P51449 1/20 0.30
RORB Q92753 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL5953289 0.90 KIF11 (0.37)
SCHEMBL5614987 0.87 TACR1 (0.31) TACR1
SCHEMBL5952259 0.86 HTR1A (0.35) HTR1AHTR7
SCHEMBL2508944 0.86
SCHEMBL5837577 0.85 HTR1A (0.34) HTR1AHTR7
SCHEMBL5609203 0.85 CNR1 (0.31)
SCHEMBL5891066 0.84 HSD11B1 (0.34)
SCHEMBL5951143 0.84
SCHEMBL5951126 0.83 HTR1A (0.33) HTR1AHTR7
SCHEMBL5610671 0.83

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 HTR1A 2570/4885HTR7 1861/4885TACR1 2664/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HTR1A 2132/4885HTR7 2049/4885TACR1 2706/4885

“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.