SCHEMBL6752276

SCHEMBL6752276

C=CC(=O)CC(C)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
ALOX5 P09917 1/20 0.42
PTGER4 P35408 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
EPHX2 P34913 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
SSTR4 P31391 1/20 0.39
ACP3 P15309 1/20 0.38

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
SCHEMBL6752558 1.00 CYP2C9 (0.43) CYP2C9CYP2C19HPGDHTTALOX5
SCHEMBL9185404 0.81 CYP2C9 (0.59) CYP2C9CYP2C19HPGDHTTALOX5
SCHEMBL27987895 0.80 ALOX5 (0.51) CYP2C9CYP2C19HPGDHTTALOX5
SCHEMBL8576653 0.80 ALOX5 (0.51) CYP2C9CYP2C19HPGDHTTALOX5
SCHEMBL5270052 0.78 TSHR (0.46) CYP2C9CYP2C19HPGDHTTALOX5
SCHEMBL6752302 0.78 MAOA (0.44) HPGDLMNAGAAALDH1A1
SCHEMBL27725216 0.77 CYP2C9 (0.47) CYP2C9CYP2C19HPGDHTTALOX5
SCHEMBL29628554 0.77 MMP2 (0.46) CYP2C9CYP2C19HPGDHTTALOX5
SCHEMBL6752303 0.76 CYP2C9 (0.43) CYP2C9CYP2C19HPGDHTTALOX5
SCHEMBL10748377 0.76 SSTR4 (0.41) CYP2C9CYP2C19HPGDHTTALOX5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211508-B2 radiation curing ink cures with high sensitivity to form a high quality, durable image resistant to cracking, peeling and has excellent impact resistance, flexibility, and adhesion; cyclic monofunctional acrylic or N-vinyl monomers FUJIFILM CORPORATION (JP) 2012-07-03 US disclosed
US-8183415-B2 Methods of synthesizing cinacalcet and salts thereof AMGEN, INC. (US) 2012-05-22 US disclosed
US-20110281954-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. 2011-11-17 US disclosed
US-20090137837-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. 2009-05-28 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-20090137837-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF ACE, SI, REN CYP2C9 350/4885CYP2C19 548/4885HPGD 2835/4885
US-20110281954-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF ACE, SI, REN CYP2C9 350/4885CYP2C19 548/4885HPGD 2835/4885

“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.