SCHEMBL14003751

SCHEMBL14003751

O=C(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.73
GLA P06280 1/20 0.60
TSPO P30536 4/20 0.59
FABP4 P15090 3/20 0.57
FABP5 Q01469 3/20 0.57
FABP3 P05413 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
BACE1 P56817 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
CYP19A1 P11511 1/20 0.48
POLB P06746 1/20 0.48
HDAC1 Q13547 1/20 0.47

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
SCHEMBL20438537 0.88 KDM4E (0.63) KDM4EGLATSPOFABP4FABP5
SCHEMBL14003754 0.86 KDM4E (0.73) KDM4EGLATSPOFABP4FABP5
SCHEMBL150053 0.84 KDM4E (1.00) KDM4EGLATSPOFABP4FABP5
SCHEMBL29859932 0.84 KDM4E (1.00) KDM4EGLATSPOFABP4FABP5
SCHEMBL1128466 0.83 KDM4E (0.68) KDM4EGLATSPOFABP4FABP5
SCHEMBL28756439 0.83 KDM4E (0.68) KDM4EGLATSPOFABP4FABP5
SCHEMBL3322075 0.83 KDM4E (0.68) KDM4EGLATSPOFABP4FABP5
SCHEMBL3202252 0.78 KDM4E (0.69) KDM4EGLATSPOPOLB
SCHEMBL31160335 0.78 KDM4E (0.61) KDM4EGLATSPOFABP4FABP5
SCHEMBL13957664 0.77 MARK4 (0.53) KDM4ETSPOPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841276-B2 Fulvene and fulvalene analogs and their use in treating cancers EMORY UNIVERSITY (US) 2014-09-23 US disclosed
US-8841276-B2 Fulvene and fulvalene analogs and their use in treating cancers EMORY UNIVERSITY (US) 2014-09-23 US disclosed
WO-2008137740-A1 FULVENE AND FULVALENE ANALOGS AND THEIR USE IN TREATING CANCERS EMORY UNIVERSITY (US) 2008-11-13 WO disclosed
US-20080275016-A1 For drug resistant cancers; antiinflammatory agents;degenerative or vascular diseases; blocking nitrogen oxide so growth of tumors is suppressed U.S. GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS, THE 2008-11-06 US disclosed
US-20080275016-A1 For drug resistant cancers; antiinflammatory agents;degenerative or vascular diseases; blocking nitrogen oxide so growth of tumors is suppressed U.S. GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS, THE 2008-11-06 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 (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-20080275016-A1 For drug resistant cancers; antiinflammatory agents;degenerative or vascular diseases; blocking nitrogen oxide so growth of tumors is suppressed NOX1, NOX3, ROS1 KDM4E 1908/4885GLA 1308/4885TSPO 4178/4885

“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.