SCHEMBL1746656

SCHEMBL1746656

O=C1CCc2cc(-c3ccc(Cl)cc3)ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 5/20 0.69
▸ CYP1A2 P05177 1/20 0.55
▸ CYP11B1 P15538 1/20 0.55
▸ CYP11B2 P19099 1/20 0.55
▸ TDP2 O95551 3/20 0.54
▸ CASP1 P29466 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ JAK2 O60674 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ MET P08581 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ PRKACA P17612 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ MAP2K2 P36507 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ MAP2K1 Q02750 1/20 0.47
▸ MST1R Q04912 1/20 0.47
▸ NTRK3 Q16288 1/20 0.47

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
SCHEMBL4418225 0.89 HSD17B1 (0.71) HSD17B1CYP1A2CYP11B1CYP11B2TDP2
SCHEMBL28655414 0.88 HSD17B1 (0.78) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL3987535 0.87 HSD17B1 (0.62) HSD17B1CYP1A2CYP11B1CYP11B2TDP2
SCHEMBL6192593 0.84 PARP10 (0.64) HSD17B1CYP1A2CYP11B1CYP11B2TDP2
SCHEMBL28603 0.84 CASP1 (0.59) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL31029247 0.84 CASP1 (0.59) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL3986077 0.84 HSD17B1 (0.62) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL1745161 0.83 HSD17B1 (0.71) HSD17B1CYP1A2CYP11B1CYP11B2TDP2
SCHEMBL1747435 0.81 HSD17B1 (0.69) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL1030949 0.81 HSD17B1 (1.00) HSD17B1CYP1A2CYP11B1CYP11B2TDP2

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
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 — — EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 — — EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 — — US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 — — US disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 — — 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 (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-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR HSD17B1 1793/4885CYP1A2 4431/4885CYP11B1 2246/4885

“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.

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