SCHEMBL23134271

SCHEMBL23134271

CCCC(C)OCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
KCNH2 Q12809 3/20 0.43
TMEM97 Q5BJF2 3/20 0.43
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
MAOB P27338 1/20 0.39
PPARA Q07869 3/20 0.39
PPARD Q03181 2/20 0.39
ALDH1A1 P00352 1/20 0.39
IDO1 P14902 2/20 0.39
FDFT1 P37268 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
SCHEMBL14263144 0.82 TAAR1 (0.50) MEN1KMT2ATAAR1KCNH2TMEM97
SCHEMBL9253919 0.79 ESR1 (0.46) TAAR1TMEM97ALDH1A1
SCHEMBL23134263 0.79 TAAR1 (0.47) MEN1KMT2ATAAR1KCNH2TMEM97
SCHEMBL6003117 0.78 PTGES (0.46) MEN1KMT2ATAAR1KCNH2TMEM97
SCHEMBL14263243 0.78 MAOB (0.53) MEN1KMT2ATAAR1KCNH2TMEM97
SCHEMBL10580830 0.75 RARB (0.46) MEN1KMT2AALDH1A1
SCHEMBL9259979 0.74 KMT2A (0.44) MEN1KMT2AMAOB
SCHEMBL9260814 0.74 RARB (0.50) MEN1KMT2AALDH1A1
SCHEMBL9260072 0.74 ALDH1A1 (0.54) KMT2AALDH1A1
SCHEMBL1696674 0.73 TAAR1 (0.61) TAAR1KCNH2TMEM97MAOBIDO1

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-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ALCON INC. (CH) 2021-03-25 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-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ATM, MAP3K15, MAP3K3 MEN1 4265/4885KMT2A 3097/4885TAAR1 2233/4885

“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.