SCHEMBL378731

SCHEMBL378731

OCCCc1cccc(-c2cccc(O)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.52
HSD17B2 P37059 4/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C9 P11712 2/20 0.52
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
GRIA2 P42262 1/20 0.47
ACMSD Q8TDX5 1/20 0.46
MGLL Q99685 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
CALM1 P0DP23 1/20 0.44

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
SCHEMBL2978591 0.88 DRD2 (0.61) CYP3A4DRD2DRD1TAAR1MGLL
SCHEMBL29616870 0.88 DRD2 (0.61) CYP3A4DRD2DRD1TAAR1MGLL
SCHEMBL81571 0.85 ACMSD (0.49) ACMSDCYP4F2CYP4A11
SCHEMBL3231456 0.83 ACMSD (0.47) ACMSDCYP4F2CYP4A11
SCHEMBL3172595 0.82 DRD2 (0.59) DRD2DRD1TAAR1MGLLCHRM2
SCHEMBL21396987 0.81 MGLL (0.60) DRD2DRD1TAAR1MGLLCHRM2
SCHEMBL4437687 0.81 MGLL (0.60) DRD2DRD1TAAR1MGLLCHRM2
SCHEMBL5661640 0.81 MGLL (0.60) DRD2DRD1TAAR1MGLLCHRM2
SCHEMBL8053899 0.81 MGLL (0.60) DRD2DRD1TAAR1MGLLCHRM2
SCHEMBL14568511 0.80 HSD17B1 (0.60) HSD17B1HSD17B2CYP3A4CYP2C9GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8313669-B2 Liquid-crystal display MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-11-20 US disclosed
US-8313669-B2 Liquid-crystal display MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-11-20 US disclosed
US-8313669-B2 Liquid-crystal display MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-11-20 US disclosed
EP-2181174-B1 LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2012-01-25 EP disclosed
EP-2181174-B1 LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2012-01-25 EP disclosed
US-20110101269-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-05 US disclosed
US-20110101269-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-05 US disclosed
US-20110101269-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-05 US disclosed
EP-2181174-A1 LIQUID CRYSTAL DISPLAY Merck Patent GmbH (DE) 2010-05-05 EP disclosed
WO-2009030322-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2009-03-12 WO disclosed
WO-2009030322-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2009-03-12 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-20110101269-A1 LIQUID-CRYSTAL DISPLAY KLK3, LPXN, PSAP HSD17B1 2575/4885HSD17B2 2137/4885CYP3A4 3921/4885

“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.