SCHEMBL4240625

SCHEMBL4240625

CC(C)c1nc2ccc(CO)cc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
ALOX15 P16050 1/20 0.63
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 1/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR5 Q9H228 1/20 0.50
CBFB Q13951 5/20 0.49
SCN10A Q9Y5Y9 4/20 0.48
HTT P42858 2/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44

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
SCHEMBL5029652 0.87 HSD17B10 (0.53) ALDH1A1ALOX15KDM4ELMNAHSD17B10
SCHEMBL10141265 0.85 ALDH1A1 (0.60) ALDH1A1ALOX15KDM4ELMNAHSD17B10
SCHEMBL13034836 0.84 ALDH1A1 (0.59) ALDH1A1ALOX15KDM4ELMNAHSD17B10
SCHEMBL8192405 0.84 ALDH1A1 (0.59) ALDH1A1ALOX15KDM4ELMNAHSD17B10
SCHEMBL20055055 0.80 S1PR4 (0.63) ALDH1A1ALOX15KDM4ELMNAHSD17B10
SCHEMBL19970800 0.79 CBFB (0.51) ALDH1A1ALOX15CYP1A2S1PR4S1PR1
SCHEMBL5029790 0.78 KDM4E (0.62) ALDH1A1ALOX15KDM4ECYP1A2CBFB
SCHEMBL4226862 0.78 ALDH1A1 (0.56) ALDH1A1ALOX15KDM4EHSD17B10CBFB
SCHEMBL14197238 0.78 KDM4E (0.57) ALDH1A1ALOX15KDM4ELMNAHSD17B10
SCHEMBL13375146 0.76 ALDH1A1 (0.61) ALDH1A1ALOX15KDM4ELMNAHSD17B10

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-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 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 (2 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 ALDH1A1 3962/4885ALOX15 4115/4885KDM4E 2565/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA ALDH1A1 1198/4885ALOX15 3138/4885KDM4E 3686/4885

“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.