SCHEMBL5951871

SCHEMBL5951871

CCCCc1cccc2c1C(=O)C(c1cccc3ccccc13)(C(F)(F)F)C2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
ADRA1D P25100 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
PDK2 Q15119 2/20 0.34
CNR2 P34972 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
REN P00797 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
SCHEMBL5952205 0.66 BCHE (0.33) BCHEPDK2CNR2KMT2A
SCHEMBL29370232 0.66 BCHE (0.54) BCHETAAR1
SCHEMBL74016 0.66 BCHE (0.54) BCHETAAR1
SCHEMBL2586601 0.64 BCHE (0.52) BCHETAAR1
Phosphine SCHEMBL28240080 0.64 BCHE (0.52) BCHETAAR1
SCHEMBL2586600 0.64 BCHE (0.52) BCHETAAR1
Methane SCHEMBL27919120 0.63 BCHE (0.51) BCHETAAR1
Phosphine SCHEMBL28863280 0.62 CNR2 (0.46) BCHECNR2TAAR1MEN1MAPT
SCHEMBL29694145 0.61 BCHE (0.52) BCHETAAR1MAPT
SCHEMBL460016 0.61 BCHE (0.52) BCHETAAR1MAPT

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 BCHE 2167/4885ADRA1D 1387/4885ADRA1A 1011/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 BCHE 2284/4885ADRA1D 1089/4885ADRA1A 831/4885

“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.