SCHEMBL17211804

SCHEMBL17211804

C[C@@]1(CC(=O)O)CCc2cc(O)ccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.60
AKR1B1 P15121 2/20 0.47
ESR1 P03372 4/20 0.45
ESR2 Q92731 4/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PRKCI P41743 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL14062335 1.00 DGAT1 (0.60) DGAT1AKR1B1ESR1ESR2MAOA
SCHEMBL14062088 0.83 DGAT1 (0.44) DGAT1ESR1ESR2SMN1; SMN2
SCHEMBL10341533 0.82 DGAT1 (0.55) DGAT1SMN1; SMN2
SCHEMBL10341542 0.81 DGAT1 (0.60) DGAT1
SCHEMBL14062151 0.81 DGAT1 (0.62) DGAT1AKR1B1ESR1ESR2
SCHEMBL14062083 0.81 DGAT1 (0.62) DGAT1AKR1B1ESR1ESR2
SCHEMBL14137079 0.81 DGAT1 (0.69) DGAT1
SCHEMBL3749487 0.80 ESR1 (0.49) DGAT1ESR1ESR2
SCHEMBL3411510 0.80 ESR1 (0.49) DGAT1ESR1ESR2
SCHEMBL3050076 0.77 MAOA (0.50) AKR1B1ESR1ESR2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242929-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-01-26 US disclosed
US-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors GlaxoSmith Kline Intellectual Property (No.2) Limited (GB) 2015-10-29 US 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-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors DGAT1, DGAT2, LCAT DGAT1 1/4885AKR1B1 387/4885ESR1 2805/4885

“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.