SCHEMBL718558

SCHEMBL718558

Cc1c(C(O)C(C)C)oc2ccc(O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
HSD17B3 P37058 3/20 0.40
ESR2 Q92731 2/20 0.40
ESR1 P03372 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
PDE4D Q08499 2/20 0.39
CYP3A4 P08684 3/20 0.39
MAOA P21397 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
MAOB P27338 2/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 3/20 0.38

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
SCHEMBL7943422 0.84 POLB (0.48) POLBGAAHSD17B3ESR2ESR1
SCHEMBL721621 0.84 CASP6 (0.44) POLBLMNAKDM4EMAPTSMN1; SMN2
SCHEMBL719686 0.84 RAB9A (0.40) GAACYP3A4CYP1A2CYP2C19LMNA
SCHEMBL31231882 0.84 RAB9A (0.40) GAACYP3A4CYP1A2CYP2C19LMNA
SCHEMBL31231889 0.84 RAB9A (0.40) GAACYP3A4CYP1A2CYP2C19LMNA
SCHEMBL719319 0.79 TBK1 (0.36) ESR2CSNK2A2CSNK2BKDM4EHSD17B10
SCHEMBL719315 0.75 L3MBTL1 (0.43) POLBGAALMNAKDM4EMAPT
SCHEMBL14905684 0.75 TBK1 (0.40) KDM4EHSD17B10GLANPC1RAB9A
SCHEMBL12301447 0.74 LMNA (0.51) POLBGAAHSD17B3ESR2ESR1
SCHEMBL718528 0.73 MAOB (0.42) POLBCYP3A4MAOAMAOBKDM4E

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-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP POLB 4719/4885GAA 1254/4885HSD17B3 574/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP POLB 4719/4885GAA 1254/4885HSD17B3 574/4885

“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.