SCHEMBL2065202

SCHEMBL2065202

CC(C(=O)OC(C)(C)C)c1ccc(C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.48
APP P05067 1/20 0.46
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
ALDH1A3 P47895 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ALDH1A1 P00352 5/20 0.40
CYP2A6 P11509 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
MIF P14174 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 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
SCHEMBL6783979 0.85 APP (0.45) APPALDH1A1LMNAKMT2AMIF
SCHEMBL16569010 0.85 TYR (0.46) TYRAPPAKR1C3AKR1C2ALDH1A3
SCHEMBL8850119 0.81 APP (0.49) APPADRB2ADRB1ADRB3LMNA
SCHEMBL5215244 0.81 APP (0.49) APPAKR1C3AKR1C2ADRB2ADRB1
SCHEMBL1125147 0.81 TYR (0.53) TYRAKR1C3AKR1C2ALDH1A3ADRB2
SCHEMBL6349692 0.79 APP (0.58) APPLMNAKMT2AMAPK1
SCHEMBL550740 0.79 APP (0.48) APPADRB2ADRB1ADRB3ALDH1A1
SCHEMBL4538904 0.79 APP (0.48) APPALDH1A1LMNAKMT2AMAPK1
SCHEMBL2289610 0.79 APP (0.47) APPALDH1A1KMT2ARECQL
SCHEMBL16782694 0.79 APP (0.47) APPALDH1A1KMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2062884-B1 Phenylacetic acid derivatives and pharmaceutical composition thereof FUJI YAKUHIN CO LTD (JP) 2013-02-20 EP disclosed
US-8148421-B2 Phenylacetic acid derivative FUJI YAKUHIN CO., LTD. (JP) 2012-04-03 US disclosed
US-20100048666-A1 NOVEL PHENYLACETIC ACID DERIVATIVE FUJI YAKUHIN CO., LTD. (JP) 2010-02-25 US disclosed
EP-2062884-A1 NOVEL PHENYLACETIC ACID DERIVATIVE Fuji Yakuhin Co., Ltd. (JP) 2009-05-27 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 (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-20100048666-A1 NOVEL PHENYLACETIC ACID DERIVATIVE PTGS1, PTGER1, PTGDR TYR 535/4885APP 4410/4885AKR1C3 28/4885

“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.