SCHEMBL2289089

SCHEMBL2289089

CCCC1CCc2c(c(=O)oc3cc(-c4cc(F)c(F)c(F)c4)ccc23)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ HPGD P15428 6/20 0.39
▸ HSD17B10 Q99714 6/20 0.39
▸ TSHR P16473 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ GLA P06280 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ CASP7 P55210 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ MTHFD1 P11586 2/20 0.34
▸ MTHFD2 P13995 2/20 0.34
▸ MEN1 O00255 2/20 0.33

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
SCHEMBL2289558 0.81 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2570498 0.78 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2283588 0.76 STS (0.47) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2569140 0.72 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL6159067 0.72 HTR1D (0.39) CYP1A2
SCHEMBL14526308 0.71 DGAT1 (0.40) CYP1A2
SCHEMBL14526312 0.70 HTR1D (0.34) ALDH1A1MAPTDRD2DRD3
SCHEMBL14526545 0.69 CYP3A4 (0.39) CYP1A2
SCHEMBL6157618 0.68 HTR1D (0.36) ALDH1A1MAPTDRD2DRD3
SCHEMBL14526306 0.67 CYP2C9 (0.33) ALDH1A1MAPTMAPK1MEN1KMT2A

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
EP-1963300-B1 BENZOCHROMENE DERIVATIVES FOR USE IN LIQUID CRYSTAL MEDIA AND AS THERAPEUTIC ACTIVE SUBSTANCES MERCK PATENT GMBH (DE) 2012-08-22 — — EP disclosed
EP-1963300-B1 BENZOCHROMENE DERIVATIVES FOR USE IN LIQUID CRYSTAL MEDIA AND AS THERAPEUTIC ACTIVE SUBSTANCES MERCK PATENT GMBH (DE) 2012-08-22 — — EP disclosed
US-7998541-B2 Benzochromene derivatives for use in liquid crystal media and as therapeutic active substances MERCK PATENT GMBH (DE) 2011-08-16 — — US disclosed
US-7998541-B2 Benzochromene derivatives for use in liquid crystal media and as therapeutic active substances MERCK PATENT GMBH (DE) 2011-08-16 — — US disclosed
US-7998541-B2 Benzochromene derivatives for use in liquid crystal media and as therapeutic active substances MERCK PATENT GMBH (DE) 2011-08-16 — — US disclosed
US-20090247620-A1 Benzochromene Derivatives for Use in Liquid Crystal Media and as Therapeutic Active Substances MERCK PATENT GMBH (DE) 2009-10-01 — — US disclosed
US-20090247620-A1 Benzochromene Derivatives for Use in Liquid Crystal Media and as Therapeutic Active Substances MERCK PATENT GMBH (DE) 2009-10-01 — — US disclosed
US-20090247620-A1 Benzochromene Derivatives for Use in Liquid Crystal Media and as Therapeutic Active Substances MERCK PATENT GMBH (DE) 2009-10-01 — — US disclosed
EP-1963300-A1 BENZOCHROMENE DERIVATIVES FOR USE IN LIQUID CRYSTAL MEDIA AND AS THERAPEUTIC ACTIVE SUBSTANCES Merck Patent GmbH (DE) 2008-09-03 — — EP disclosed
WO-2007079842-A1 BENZOCHROMENE DERIVATIVES FOR USE IN LIQUID CRYSTAL MEDIA AND AS THERAPEUTIC ACTIVE SUBSTANCES MERCK PATENT GMBH (DE) 2007-07-19 — — WO disclosed
WO-2007079842-A1 BENZOCHROMENE DERIVATIVES FOR USE IN LIQUID CRYSTAL MEDIA AND AS THERAPEUTIC ACTIVE SUBSTANCES MERCK PATENT GMBH (DE) 2007-07-19 — — 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-20090247620-A1 Benzochromene Derivatives for Use in Liquid Crystal Media and as Therapeutic Active Substances LPO, SBDS, OCIAD1 KDM4E 4576/4885ALDH1A1 1625/4885HPGD 824/4885

“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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