SCHEMBL482281

SCHEMBL482281

CC1(C)Oc2ccc(C#N)cc2[C@@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
ABCB1 P08183 10/20 0.61
ABCC9 O60706 4/20 0.60
KCNE1 P15382 3/20 0.58
KCNQ1 P51787 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
MEN1 O00255 1/20 0.58
CYP3A4 P08684 1/20 0.58
KMT2A Q03164 1/20 0.58
KCND3 Q9UK17 1/20 0.58
ABCC8 Q09428 2/20 0.56
KCNJ11 Q14654 2/20 0.56
KCNJ8 Q15842 2/20 0.56
CYP2C9 P11712 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL9185586 1.00 KDM4E (0.62) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL9185591 1.00 KDM4E (0.62) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL8090416 0.88 KDM4E (0.56) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL8090417 0.88 KDM4E (0.56) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL8076989 0.88 KDM4E (0.56) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL8090414 0.88 KDM4E (0.56) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL9210536 0.87 KDM4E (0.55) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL9210524 0.87 KDM4E (0.55) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL9210518 0.87 KDM4E (0.55) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL12231590 0.86 KDM4E (0.61) KDM4EABCB1ABCC9KCNE1KCNQ1

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 12 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
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
EP-1940516-A2 BENZOPYRAN AND PYRANOPYRIDINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Janssen Pharmaceutica, N.V. (BE) 2008-07-09 EP disclosed
EP-1937669-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP 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-5478734-A Intermediates in preparing potassium channel activators BRISTOL-MYERS SQUIBB COMPANY (US) 1995-12-26 US disclosed
EP-0629702-A2 Enzymatic preparation of chiral epoxide or hydroxy compounds by stereoselective epoxidation or hydroxylation BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-21 EP 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 KDM4E 885/4885ABCB1 158/4885ABCC9 217/4885
US-20070072832-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS KCNJ2, KCNN1, KCNN3 KDM4E 885/4885ABCB1 158/4885ABCC9 217/4885

“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.