SCHEMBL3814082

SCHEMBL3814082

COc1ccc2c(c1)CC(=O)CCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
ALOX12 P18054 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
METAP1 P53582 2/20 0.43
MTNR1A P48039 2/20 0.43
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD5 P21918 2/20 0.42
DRD3 P35462 2/20 0.42
DRD4 P21917 1/20 0.42
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
CTNNB1 P35222 1/20 0.40

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
SCHEMBL7304831 0.84 MAPT (0.56) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL29845506 0.83 GSK3B (0.48) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL3716710 0.83 GSK3B (0.48) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL11926958 0.79 ALDH1A1 (0.41) MAPTNPC1RAB9AALDH1A1GAA
SCHEMBL30563599 0.77 KDM4E (0.44) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL578280 0.77 KDM4E (0.44) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL12431224 0.76 MAPT (0.43) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL29469491 0.76 KDM4E (0.43) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL43307 0.75 METAP1 (0.53) METAP1DRD2DRD1DRD5DRD3
SCHEMBL29940518 0.75 METAP1 (0.53) METAP1DRD2DRD1DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 US disclosed
EP-2086983-A2 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2009-08-12 EP disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 US disclosed
WO-2008039520-A2 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-04-03 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-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NOD2, RORC, NLRP3 MAPT 936/4885KDM4E 1715/4885NPC1 301/4885

“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.