SCHEMBL2283588

SCHEMBL2283588

CCCC1CCc2c(c(=O)oc3cc(OS(=O)(=O)C(F)(F)F)ccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 10/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ CA2 P00918 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL2289558 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL2289089 0.76 KDM4E (0.39) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL6158884 0.75 DRD2 (0.58) CYP19A1DRD2HTR1DDRD3
SCHEMBL10847170 0.71 HPGD (0.72) STSHPGDHSD11B1
SCHEMBL31535308 0.70 DRD4 (0.55) STSCA2CA12CA1CYP19A1
SCHEMBL26371404 0.70 DRD2 (0.57) CYP19A1DRD2HTR1DDRD3
SCHEMBL30629196 0.69 ALDH1A1 (0.62) STSALDH1A1KDM4ECA2MAPT
SCHEMBL19204644 0.68 MEN1 (0.46) STSALDH1A1KDM4ECA2MAPT
SCHEMBL30301334 0.68 HSD11B1 (0.51) STSALDH1A1KDM4ECA2HPGD

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 STS 1882/4885ALDH1A1 1625/4885KDM4E 4576/4885

“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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