SCHEMBL2149402

SCHEMBL2149402

O=Cc1cc(C(F)(F)C(F)(F)C(F)(F)F)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.46
CDK1 P06493 1/20 0.41
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL22083709 0.93 ERN1 (0.43) ERN1CDK1TRIM24TRIM33MAPT
SCHEMBL12072122 0.89 ERN1 (0.48) ERN1CDK1TRIM24TRIM33MAPT
SCHEMBL248602 0.82 ERN1 (0.52) ERN1CDK1TRIM24TRIM33MAPT
SCHEMBL3648582 0.79 ERN1 (0.46) ERN1CDK1TRIM24TRIM33MAPT
SCHEMBL14849044 0.79 ERN1 (0.49) ERN1CDK1TRIM24TRIM33MAPT
SCHEMBL13257343 0.77 ERN1 (0.55) ERN1CDK1TRIM24TRIM33MAPT
SCHEMBL332380 0.74 MAPT (0.62) ERN1CDK1TRIM24TRIM33MAPT
SCHEMBL209836 0.74 ESR1 (0.55) ERN1CDK1TRIM24TRIM33MAPT
SCHEMBL11516602 0.73 ALDH1A1 (0.55) MAPTSMN1; SMN2
SCHEMBL11417093 0.73 MAPT (0.61) ERN1CDK1MAPTSMN1; SMN2

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
EP-2341042-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE CARBOXYLIC ACID ESTER COMPOUND, ASYMMETRIC COPPER COMPLEX, AND OPTICALLY ACTIVE SALICYLIDENEAMINOALCOHOL COMPOUND SUMITOMO CHEMICAL CO (JP) 2019-03-20 EP disclosed
US-8680328-B2 Method for producing optically active cyclopropane carboxylic acid ester compound, asymmetric copper complex, and optically active salicylideneaminoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-03-25 US disclosed
US-20110166372-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE CARBOXYLIC ACID ESTER COMPOUND, ASYMMETRIC COPPER COMPLEX, AND OPTICALLY ACTIVE SALICYLIDENEAMINOALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 US disclosed
EP-2341042-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE CARBOXYLIC ACID ESTER COMPOUND, ASYMMETRIC COPPER COMPLEX, AND OPTICALLY ACTIVE SALICYLIDENEAMINOALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-07-06 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-20110166372-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE CARBOXYLIC ACID ESTER COMPOUND, ASYMMETRIC COPPER COMPLEX, AND OPTICALLY ACTIVE SALICYLIDENEAMINOALCOHOL COMPOUND ALDH18A1, ALDH3A1, DECR1 ERN1 3178/4885CDK1 1660/4885TRIM24 3518/4885

“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.