SCHEMBL2633385

SCHEMBL2633385

CC(=O)Nc1cccc(C(C)(C)O)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP1A2 P05177 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
RAB9A P51151 2/20 0.53
POLB P06746 1/20 0.53
NR4A1 P22736 1/20 0.53
NAPRT Q6XQN6 1/20 0.52
NQO2 P16083 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MPO P05164 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TP53 P04637 2/20 0.49

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
SCHEMBL1689404 0.87 HDAC3 (0.62) ALDH1A1HSD17B10CYP1A2L3MBTL1RAB9A
SCHEMBL23213561 0.86 MEN1 (0.50) ALDH1A1HSD17B10RAB9ASMN1; SMN2MEN1
SCHEMBL19262164 0.82 PTPRC (0.51) ALDH1A1HSD17B10CYP1A2L3MBTL1RAB9A
SCHEMBL505220 0.82 RXFP1 (0.69) ALDH1A1L3MBTL1RAB9ASMN1; SMN2RXFP1
SCHEMBL30022965 0.82 RXFP1 (0.69) ALDH1A1L3MBTL1RAB9ASMN1; SMN2RXFP1
SCHEMBL12655113 0.81 POLB (0.57) ALDH1A1HSD17B10CYP1A2L3MBTL1RAB9A
SCHEMBL1901172 0.80 ALDH1A1 (0.76) ALDH1A1HSD17B10CYP1A2L3MBTL1RAB9A
SCHEMBL27965723 0.80 HSD17B10 (0.55) ALDH1A1HSD17B10CYP1A2L3MBTL1RAB9A
SCHEMBL9761962 0.79 L3MBTL1 (0.61) ALDH1A1HSD17B10CYP1A2L3MBTL1RAB9A
SCHEMBL5536500 0.79 L3MBTL1 (0.61) ALDH1A1HSD17B10CYP1A2L3MBTL1RAB9A

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-20120095228-A1 METHOD FOR THE PREPARATION OF ERLOTINIB F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2012-04-19 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-20120095228-A1 METHOD FOR THE PREPARATION OF ERLOTINIB EGFR, ABL1, ERBB2 ALDH1A1 823/4885HSD17B10 1509/4885CYP1A2 374/4885

“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.