SCHEMBL10415544

SCHEMBL10415544

Cc1cccc(C(O)C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.44
ACHE P22303 3/20 0.44
AOC3 Q16853 2/20 0.41
EPHX1 P07099 1/20 0.40
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ADRB1 P08588 1/20 0.36
MIF P14174 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
HSD17B2 P37059 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL11606507 0.82 ACHE (0.52) ACP3ACHEAOC3EPHX1TP53
SCHEMBL13736755 0.82 ACP3 (0.43) ACP3ACHEAOC3EPHX1TP53
SCHEMBL19840552 0.80 ACP3 (0.42) ACP3ACHEAOC3EPHX1TP53
SCHEMBL22702016 0.79 CYP3A4 (0.44) AOC3TDP1ALDH1A1MAPK1ADRB1
SCHEMBL30317737 0.79 ADRB1 (0.58) ACHEALDH1A1ADRB1MIFHTR2A
SCHEMBL14443273 0.79 ADRB1 (0.58) ACHEALDH1A1ADRB1MIFHTR2A
SCHEMBL6055386 0.78 ACHE (0.48) ACP3ACHEAOC3EPHX1TP53
SCHEMBL822105 0.78 ACHE (0.52) ACP3ACHEAOC3EPHX1TP53
SCHEMBL6035448 0.78 ACHE (0.52) ACP3ACHEAOC3EPHX1TP53
SCHEMBL19589404 0.78 HDAC8 (0.44) ACHEAOC3TDP1ALDH1A1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
US-4891431-A REMOVAL OF BY-PRODUCT FORMIC ACID MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-01-02 US disclosed
EP-0252162-A1 PROCESS FOR PREPARING 2-UNSUBSTITUTED IMIDAZOLES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-01-13 EP 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS ACP3 758/4885ACHE 3695/4885AOC3 1140/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS ACP3 758/4885ACHE 3695/4885AOC3 1140/4885

“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.