SCHEMBL16769484

SCHEMBL16769484

CC(=O)c1cc(C)c(C=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.44
MAPT P10636 4/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
CYP2A6 P11509 1/20 0.35
HSD17B1 P14061 1/20 0.35
USP2 O75604 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HSPD1 P10809 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL1174688 0.82 TPMT (0.50) CA5AMAPTCYP3A4LMNAKDM4E
SCHEMBL3208908 0.80 RAF1 (0.41) MAPTCYP3A4ALDH1A1POLBBLM
SCHEMBL15299942 0.77 ALDH1A1 (0.50) MAPTCYP3A4LMNAKDM4EALDH1A1
SCHEMBL22168037 0.76 CA5A (0.43) CA5ALMNAKMT2AALDH1A1ERN1
SCHEMBL96185 0.75 CA5A (0.52) CA5AMAPTCYP3A4LMNAKMT2A
SCHEMBL1251733 0.75 AKR1C3 (0.52) MAPTCYP3A4LMNAKMT2AUSP2
SCHEMBL1251731 0.75 AKR1C3 (0.52) MAPTCYP3A4LMNAKMT2AUSP2
SCHEMBL2154552 0.74 SRC (0.40) CA5ACYP3A4LMNAKMT2AFFAR4
SCHEMBL6377610 0.73 CA5A (0.50) CA5AMAPTLMNAKMT2AFFAR4
SCHEMBL1644952 0.73 CA5A (0.56) CA5AMAPTCYP3A4LMNAKMT2A

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-20150152047-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 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-20150152047-A1 BENZAMIDE DERIVATIVE CYP3A5, HDAC6, BRD1 CA5A 456/4885MAPT 2243/4885CYP3A4 59/4885

“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.