SCHEMBL5162353

SCHEMBL5162353

COc1ccc(C(Cc2ccc(-c3ccccc3)o2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 2/20 0.54
PKM P14618 2/20 0.54
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CCKAR P32238 6/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
NQO2 P16083 1/20 0.41
LDHA P00338 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL5162449 0.87 ALDH1A1 (0.54) ALDH1A1MAPTPKMKDM4EHSD17B10
SCHEMBL6643092 0.77 PPARG (0.63) ALDH1A1PPARGPPARAL3MBTL1LDHA
SCHEMBL6931298 0.74 ALDH1A1 (0.53) ALDH1A1MAPTPKMKDM4EHSD17B10
SCHEMBL5869710 0.74 ALDH1A1 (0.53) ALDH1A1MAPTPKMKDM4EHSD17B10
SCHEMBL5869724 0.74 ALDH1A1 (0.53) ALDH1A1MAPTPKMKDM4EHSD17B10
SCHEMBL5869718 0.74 ALDH1A1 (0.53) ALDH1A1MAPTPKMKDM4EHSD17B10
SCHEMBL1716396 0.74 LDHA (0.65) TDP1CCKARPPARGPPARALDHA
SCHEMBL21959088 0.73 LDHA (0.69) CCKARPPARGPPARALDHAAKR1C3
SCHEMBL4316913 0.73 LTA4H (0.56) ALDH1A1MAPTPKMKDM4EHSD17B10
SCHEMBL11860557 0.72 ALDH1A1 (0.57) ALDH1A1MAPTPKMKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 ALDH1A1 3567/4885MAPT 2851/4885PKM 609/4885

“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.