SCHEMBL7768449

SCHEMBL7768449

CC(C)(C)c1cc(-c2ccc(F)cc2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
ALOX15 P16050 2/20 0.53
CYP2C9 P11712 2/20 0.53
NR1I2 O75469 1/20 0.53
LMNA P02545 1/20 0.53
MIF P14174 1/20 0.53
TYR P14679 1/20 0.53
HTT P42858 1/20 0.53
NFE2L2 Q16236 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RARB P10826 1/20 0.51
RARG P13631 1/20 0.51
MAPT P10636 2/20 0.46
CYP1A2 P05177 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ATP2A2 P16615 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATP2A3 Q93084 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL31146788 0.88 ALDH1A1 (0.67) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL1176397 0.88 ALDH1A1 (0.67) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL1237149 0.84 ALDH1A1 (0.69) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL2721125 0.84 ALDH1A1 (0.69) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL395584 0.84 ALDH1A1 (0.61) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL3565632 0.82 ALOX5 (0.57) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL8707369 0.82 ALDH1A1 (0.55) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL11420770 0.82 CA2 (0.68) ALDH1A1ALOX15CYP2C9TYRMAPT
SCHEMBL30621344 0.82 ALDH1A1 (0.59) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL26179235 0.82 PTGS1 (0.42) RARBRARGPTGS1PTGS2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431610-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-04-30 US disclosed
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US disclosed
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US disclosed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-8258316-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-09-04 US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 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 (3 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-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 ALDH1A1 339/4885ALOX15 3437/4885CYP2C9 3541/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 ALDH1A1 339/4885ALOX15 3437/4885CYP2C9 3541/4885
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 ALDH1A1 739/4885ALOX15 3359/4885CYP2C9 2347/4885

“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.