SCHEMBL4294900

SCHEMBL4294900

COc1ccc(C(=O)O)c(CCO)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
AKR1C3 P42330 8/20 0.49
AKR1C2 P52895 8/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP2D6 P10635 1/20 0.48
POLB P06746 2/20 0.46
FOLH1 Q04609 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL1988245 0.87 AKR1C3 (0.49) SMN1; SMN2AKR1C3AKR1C2HSD17B10KDM4E
SCHEMBL8627436 0.87 HPSE (0.50) SMN1; SMN2AKR1C3AKR1C2HSD17B10KDM4E
SCHEMBL8478030 0.86 SMN1; SMN2 (0.56) SMN1; SMN2AKR1C3AKR1C2HSD17B10KDM4E
Alcohol SCHEMBL28006228 0.85 SMN1; SMN2 (0.54) SMN1; SMN2AKR1C3AKR1C2HSD17B10KDM4E
SCHEMBL687106 0.84 KDM4E (0.53) SMN1; SMN2AKR1C3AKR1C2HSD17B10KDM4E
SCHEMBL1990568 0.84 HPSE (0.51) SMN1; SMN2AKR1C3AKR1C2HSD17B10KDM4E
SCHEMBL8478029 0.83 KDM4E (0.51) SMN1; SMN2AKR1C3AKR1C2HSD17B10KDM4E
SCHEMBL1987832 0.83 PPARA (0.56)
SCHEMBL1989679 0.83 FOLH1 (0.46) SMN1; SMN2AKR1C3AKR1C2HSD17B10KDM4E
SCHEMBL1022635 0.81 PTPN11 (0.55) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1

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-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
EP-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 EP disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
EP-1987020-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093364-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 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-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 SMN1; SMN2 3276/4885AKR1C3 1925/4885AKR1C2 1854/4885

“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.