SCHEMBL2289558

SCHEMBL2289558

CCCC1CCc2c(c(=O)oc3cc(O)ccc23)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ TSHR P16473 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ GAA P10253 3/20 0.56
▸ GLA P06280 2/20 0.56
▸ CASP1 P29466 2/20 0.56
▸ CASP7 P55210 2/20 0.56
▸ MAOA P21397 1/20 0.56
▸ CYP1A2 P05177 1/20 0.55
▸ HSD17B3 P37058 6/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ PDE2A O00408 1/20 0.43
▸ NQO1 P15559 1/20 0.42

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
SCHEMBL2570498 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL26767895 0.81 KDM4E (0.63) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL2289089 0.81 KDM4E (0.39) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL26778273 0.80 KDM4E (0.65) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL2283588 0.78 STS (0.47) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL26767899 0.75 KDM4E (0.61) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL26778277 0.74 KDM4E (0.63) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL3757463 0.73 MAOA (1.00) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL30465069 0.73 KDM4E (1.00) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL3768560 0.73 KDM4E (1.00) ALDH1A1KDM4EHPGDTSHRHSD17B10

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 16 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
WO-2007079840-A9 BENZOCHROMENE DERIVATIVES MERCK PATENT GMBH (DE) 2012-07-12 — — WO disclosed
EP-1963298-B1 Benzochromene derivatives MERCK PATENT GMBH (DE) 2011-11-02 — — 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-7824745-B2 Benzochromene derivatives MERCK PATENT GMBH (DE) 2010-11-02 — — US disclosed
US-7824745-B2 Benzochromene derivatives MERCK PATENT GMBH (DE) 2010-11-02 — — 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
US-20090023802-A1 Benzochromene Derivatives MERCK PATENT GMBH (DE) 2009-01-22 — — US disclosed
US-20090023802-A1 Benzochromene Derivatives MERCK PATENT GMBH (DE) 2009-01-22 — — US disclosed
WO-2007079840-A2 BENZOCHROMENE DERIVATIVES 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 (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-20090247620-A1 Benzochromene Derivatives for Use in Liquid Crystal Media and as Therapeutic Active Substances LPO, SBDS, OCIAD1 ALDH1A1 1625/4885KDM4E 4576/4885HPGD 824/4885
US-20090023802-A1 Benzochromene Derivatives SBDS, CRY1, DDT ALDH1A1 676/4885KDM4E 3570/4885HPGD 130/4885

“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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