SCHEMBL482017

SCHEMBL482017

CC1(C)C=Cc2cc(Sc3cccc(F)c3)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 15/20 0.43
EPAS1 Q99814 14/20 0.43
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CA7 P43166 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR2C P28335 1/20 0.37
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL482060 0.86 HIF1A (0.47) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL6024450 0.79 HTR2C (0.54) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL482300 0.79 HIF1A (0.42) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL482036 0.77 HIF1A (0.49) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL8795292 0.74 ALDH1A1 (0.40) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL9475073 0.72 ALDH1A1 (0.38) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL9476053 0.70 ALDH1A1 (0.36) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL482240 0.70 HAO1 (0.55) NPC1RAB9ACYP3A4
SCHEMBL29244244 0.68 NPC1 (0.46) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL30874717 0.68 NPC1 (0.46) HIF1AEPAS1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937669-B9 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA NV (BE) 2012-07-18 EP disclosed
EP-1937669-B1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP disclosed
EP-1937669-B1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP disclosed
US-7838553-B2 Benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-11-23 US disclosed
US-7838553-B2 Benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-11-23 US disclosed
US-7838553-B2 Benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-11-23 US disclosed
US-7812183-B2 Benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-10-12 US disclosed
US-7812183-B2 Benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-10-12 US disclosed
US-7812183-B2 Benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-10-12 US disclosed
CN-101296925-A Novel benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-10-29 CN disclosed
US-20070072832-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-29 US disclosed
US-20070072832-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-29 US disclosed
US-20070072832-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-29 US disclosed
WO-2007027959-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 WO disclosed
WO-2007027780-A2 BENZOPYRAN AND PYRANOPYRIDINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 WO disclosed
US-20070049556-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-01 US disclosed
US-20070049556-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-01 US disclosed
US-20070049556-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-01 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 (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-20070049556-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS KCNJ2, KCNN1, KCNN3 HIF1A 2527/4885EPAS1 1532/4885ALDH1A1 1788/4885
US-20070072832-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS KCNJ2, KCNN1, KCNN3 HIF1A 2527/4885EPAS1 1532/4885ALDH1A1 1788/4885

“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.