SCHEMBL3247528

SCHEMBL3247528

FC(F)(F)C(c1cccc2ccccc12)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 1/20 0.54
CYP2A6 P11509 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRA2C P18825 5/20 0.39
ADRA2A P08913 4/20 0.39
ADRA2B P18089 4/20 0.39
ADRA1A P35348 4/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1B P35368 3/20 0.39
SLC6A4 P31645 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 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
SCHEMBL22326119 0.83 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL30343954 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL5609979 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL6642851 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL31360106 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL25155317 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL5691047 0.79 CYP2C9 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL5609974 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL16579379 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL5691041 0.79 CYP2C9 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-7297461-B2 Radiation sensitive resin composition JSR CORPORATION (JP) 2007-11-20 US disclosed
US-7288359-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2007-10-30 US disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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 (1 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 ALDH1A1 874/4885CYP1A2 1561/4885CYP2C9 1878/4885

“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.