SCHEMBL6660065

SCHEMBL6660065

CC(C#N)(COc1ccccc1Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
SSTR4 P31391 8/20 0.44
SSTR1 P30872 6/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
HPGD P15428 2/20 0.43
TP53 P04637 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.41
MITF O75030 1/20 0.41
XBP1 P17861 1/20 0.41
NFKB1 P19838 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
SCHEMBL6677243 0.84 MRGPRX4 (0.42) ARSSTR4HPGDRXRARXRB
SCHEMBL6655948 0.84 NPC1 (0.45) ARSSTR4SSTR1PPARGPPARD
SCHEMBL21748887 0.80 SSTR4 (0.55) SSTR4SSTR1PPARGPPARDPPARA
SCHEMBL5511674 0.79 AR (0.46) ARSSTR4SSTR1HPGDTP53
SCHEMBL21748810 0.74 SSTR4 (0.53) SSTR4SSTR1PPARGPPARDPPARA
SCHEMBL19139302 0.73 MCHR1 (0.47) ARSSTR4SSTR1HPGDTP53
SCHEMBL11032100 0.73 HPGD (0.48) SSTR4SSTR1PPARGPPARDPPARA
SCHEMBL21749119 0.73 SSTR4 (0.61) SSTR4SSTR1HPGDTP53RXRA
SCHEMBL10064784 0.72 L3MBTL1 (0.49) SSTR4SSTR1HPGDTP53RXRA
SCHEMBL18391357 0.70 SSTR4 (0.45) ARSSTR4SSTR1HPGDTP53

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
US-20040242913-A1 Organic compounds DUCRAY PIERRE (FR) 2004-12-02 US disclosed
EP-1436250-A1 CYANOACETYL COMPOUNDS Novartis AG (CH) 2004-07-14 EP disclosed
WO-2003031394-A1 ORGANIC COMPOUNDS NOVARTIG AG (CH) 2003-04-17 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 (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-20040242913-A1 Organic compounds CYP1B1, BCL2A1, CYP1A1 AR 6/4885SSTR4 3431/4885SSTR1 2155/4885

“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.