SCHEMBL4774756

SCHEMBL4774756

CCCC[Sn](CCCC)(CCCC)c1ccc2c(c1)CC(C)(C(=O)OCC)O2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4769228 0.77 ALDH1A1 (0.39) PPARAALDH1A1KDM4EGAAHPGD
SCHEMBL8948547 0.77 ALPG (0.47) PPARAALDH1A1KDM4EGAAHPGD
SCHEMBL30726842 0.74 BRD4 (0.49) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL4767013 0.68 ALDH1A1 (0.43) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL10636265 0.67 AKT1 (0.47) PPARAGAAKMT2APPARG
SCHEMBL19469647 0.67 PPARA (0.40) PPARAALDH1A1KDM4EGAAHSD17B10
SCHEMBL4460348 0.67 SMN1; SMN2 (0.48) PPARAALDH1A1KDM4EGAAHPGD
SCHEMBL10507693 0.66 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHPGDCASP1
SCHEMBL1539135 0.65 TAS1R3 (0.41) KDM4EMAPTNPC1RAB9A
SCHEMBL10506242 0.65 ALDH1A1 (0.45) PPARAALDH1A1KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 PPARA 1247/4885HIF1A 2778/4885EPAS1 3592/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PPARA 3207/4885HIF1A 1640/4885EPAS1 3062/4885

“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.