SCHEMBL9914964

SCHEMBL9914964

CC(C)(C)NC(=O)c1ccc(C(O)c2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
ESRRG P62508 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
AOC3 Q16853 2/20 0.40
JAK2 O60674 1/20 0.40
MAOB P27338 1/20 0.40
ELANE P08246 1/20 0.39
MAPT P10636 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
NOS1 P29475 1/20 0.39
POLB P06746 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
SCHEMBL692734 0.92 LMNA (0.47) NR1H4LMNAHTTPRKAB2PRKAG1
SCHEMBL21016381 0.88 EPHX2 (0.51) EPHX2NR1H4LMNAHTTESRRG
SCHEMBL1507761 0.85 HPGD (0.49) LMNAHTTPRKAB2PRKAG1PRKAA2
SCHEMBL1508030 0.85 POLB (0.50) LMNAHTTMAPTSIRT2POLB
SCHEMBL1508016 0.84 POLB (0.50) LMNAHTTPRKAB2PRKAG1PRKAA2
SCHEMBL1507990 0.81 MAPT (0.53) EPHX2NR1H4LMNAELANEMAPT
SCHEMBL1507969 0.79 NPC1 (0.40) LMNAHTTPRKAB2PRKAG1PRKAA2
SCHEMBL17865779 0.78 LMNA (0.58) LMNAHTTPRKAB2PRKAG1PRKAA2
SCHEMBL14846585 0.78 ROCK2 (0.54) NR1H4LMNAHTTPRKAB2PRKAG1
SCHEMBL10169241 0.78 PRKAB2 (0.52) LMNAHTTESRRGPRKAB2PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198460-B2 Process for preparation of letrozole and its intermediates FRESENIUS KABI ONCOLOGY LTD. (IN) 2012-06-12 US disclosed
US-20100234617-A1 PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LTD. (IN) 2010-09-16 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-20100234617-A1 PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES CYP19A1, CYP4B1, CYP3A4 EPHX2 2630/4885NR1H4 939/4885LMNA 629/4885

“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.