SCHEMBL909731

SCHEMBL909731

Oc1cc(C(F)(F)F)ccc1OC[C@H]1CO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
TP53 P04637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
HIF1A Q16665 2/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
PPARG P37231 1/20 0.44
VDR P11473 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD4 P21917 2/20 0.41
SCN10A Q9Y5Y9 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SSTR4 P31391 1/20 0.37

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
SCHEMBL909426 1.00 TSHR (0.47) TSHRTP53ALDH1A1KMT2AMAPT
SCHEMBL909427 1.00 TSHR (0.47) TSHRTP53ALDH1A1KMT2AMAPT
SCHEMBL2892222 0.82 MRGPRX4 (0.48) TSHRTP53ALDH1A1KMT2AMAPT
SCHEMBL223269 0.82 MRGPRX4 (0.48) TSHRTP53ALDH1A1KMT2AMAPT
SCHEMBL29847383 0.81 TSHR (0.45) TSHRTP53ALDH1A1KMT2AMAPT
SCHEMBL1044544 0.80 ALDH1A1 (0.50) TSHRTP53ALDH1A1KMT2AMAPT
SCHEMBL27221091 0.79 TSHR (0.44) TSHRTP53ALDH1A1KMT2AMAPT
SCHEMBL10593658 0.79 TSHR (0.44) TSHRTP53ALDH1A1KMT2AMAPT
SCHEMBL8105582 0.79 TSHR (0.45) TSHRTP53ALDH1A1KMT2AMAPT
SCHEMBL1044368 0.79 TSHR (0.45) TSHRTP53ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
EP-2215054-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS INC (US) 2011-08-31 EP disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 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-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 TSHR 2775/4885TP53 4006/4885ALDH1A1 1821/4885

“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.