SCHEMBL6178039

SCHEMBL6178039

COc1ccc(CC(C)=CC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
HTT P42858 1/20 0.54
CTBP2 P56545 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
LDHA P00338 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6178036 1.00 ALDH1A1 (0.57) ALDH1A1HTTCTBP2SMN1; SMN2USP2
SCHEMBL2432376 0.81 KMT2A (0.51) ALDH1A1HTTCTBP2SMN1; SMN2NPC1
SCHEMBL2432378 0.81 KMT2A (0.51) ALDH1A1HTTCTBP2SMN1; SMN2NPC1
SCHEMBL3128468 0.80 CA2 (0.55) CTBP2SMN1; SMN2KDM4ENPC1PKM
SCHEMBL5087205 0.80 CA2 (0.55) CTBP2SMN1; SMN2KDM4ENPC1PKM
SCHEMBL22481094 0.80 HTT (0.53) ALDH1A1HTTCTBP2SMN1; SMN2TP53
SCHEMBL11316649 0.80 CES1 (0.52) ALDH1A1HTTCTBP2SMN1; SMN2MEN1
SCHEMBL11316646 0.80 CES1 (0.52) ALDH1A1HTTCTBP2SMN1; SMN2MEN1
SCHEMBL8939083 0.79 HTT (0.54) ALDH1A1HTTCTBP2SMN1; SMN2USP2
SCHEMBL1699734 0.79 PDPK1 (0.47) ALDH1A1SMN1; SMN2KDM4ENPC1MEN1

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-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2013-05-02 US disclosed
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO 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-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR ALDH1A1 3347/4885HTT 2365/4885CTBP2 684/4885
US-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR ALDH1A1 2759/4885HTT 4663/4885CTBP2 2855/4885

“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.