SCHEMBL95646

SCHEMBL95646

Cc1ccc(Cl)c(C(=O)c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.57
AKR1C3 P42330 1/20 0.51
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 1/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
PKM P14618 2/20 0.48

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
SCHEMBL13160877 0.89 ALDH1A1 (0.56) TP53AKR1C3GAARAB9ANPC1
SCHEMBL7270788 0.86 CES2 (0.53) TP53POLBRAB9ANPC1LMNA
SCHEMBL257273 0.86 TP53 (0.60) TP53AKR1C3POLBNPSR1GAA
SCHEMBL13160885 0.84 MAPK1 (0.48) TP53AKR1C3POLBRAB9ANPC1
SCHEMBL28384878 0.83 AKR1C3 (0.61) TP53AKR1C3POLBNPSR1GAA
SCHEMBL18196076 0.83 LMNA (0.50) TP53RAB9ANPC1LMNAKMT2A
SCHEMBL230930 0.81 ALDH1A1 (0.63) TP53NPSR1RAB9ANPC1LMNA
SCHEMBL305558 0.81 NPSR1 (0.60) TP53AKR1C3POLBNPSR1GAA
SCHEMBL29612638 0.81 ALDH1A1 (0.63) TP53NPSR1RAB9ANPC1LMNA
SCHEMBL29356028 0.81 NPSR1 (0.60) TP53AKR1C3POLBNPSR1GAA

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-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO., INC. (JP) 2017-01-12 US disclosed
US-9499579-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2016-11-22 US disclosed
US-8546534-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2013-10-01 US disclosed
US-20120059149-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO. INC. (JP) 2012-03-08 US disclosed
US-7189718-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-03-13 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-20120059149-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, BCAT2, IAPP TP53 1974/4885AKR1C3 698/4885POLB 3764/4885
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, IAPP, BCAT1 TP53 1648/4885AKR1C3 409/4885POLB 3426/4885

“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.