SCHEMBL12440296

SCHEMBL12440296

COC(=O)C(C)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.59
HTR2B P41595 3/20 0.59
HTR2C P28335 2/20 0.59
CYP3A4 P08684 3/20 0.57
CYP1A2 P05177 3/20 0.57
ADRA2C P18825 2/20 0.57
SLC6A4 P31645 2/20 0.57
ADRA1A P35348 2/20 0.57
DRD3 P35462 2/20 0.57
USP2 O75604 2/20 0.57
CYP2D6 P10635 2/20 0.57
NR1I2 O75469 1/20 0.57
ADRB1 P08588 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
ADRA2B P18089 1/20 0.57
CHRM3 P20309 1/20 0.57
SLC6A2 P23975 1/20 0.57
HRH1 P35367 1/20 0.57

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
SCHEMBL4485252 0.87 HTR2A (0.47) HTR2AHTR2BHTR2CCYP3A4CYP1A2
SCHEMBL28017508 0.87 HTR2A (0.56) HTR2AHTR2BHTR2CCYP3A4CYP1A2
SCHEMBL2166742 0.86 HTR2A (0.55) HTR2AHTR2BHTR2CCYP3A4CYP1A2
SCHEMBL7612638 0.85 HTR2A (0.66) HTR2AHTR2BHTR2CCYP3A4CYP1A2
SCHEMBL14427296 0.85 PPARD (0.44) HTR2AHTR2BHTR2CCYP3A4CYP1A2
SCHEMBL3707084 0.84 HTR2A (0.54) HTR2AHTR2BHTR2CCYP3A4CYP1A2
SCHEMBL31505846 0.84 HTR2A (0.61) HTR2AHTR2BHTR2CCYP3A4CYP1A2
SCHEMBL31283854 0.84 HTR2A (0.54) HTR2AHTR2BHTR2CCYP3A4CYP1A2
SCHEMBL26985777 0.84 HTR2A (0.61) HTR2AHTR2BHTR2CCYP3A4CYP1A2
SCHEMBL19301233 0.84 HTR2A (0.61) HTR2AHTR2BHTR2CCYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110177046-A1 DITHIAZOLIDINE AND THIAZOLIDINE DERIVATIVES AS ANTICANCER AGENTS BETAGENON AB 2011-07-21 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 (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-20110177046-A1 DITHIAZOLIDINE AND THIAZOLIDINE DERIVATIVES AS ANTICANCER AGENTS TK2, FABP4, TXNRD2 HTR2A 3329/4885HTR2B 4230/4885HTR2C 3484/4885

“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.