SCHEMBL14680916

SCHEMBL14680916

COc1c(-c2ccc(-c3ccncc3)cc2)c(-c2ccc(-c3ccncc3)cc2)c(OC)c(-c2ccc(-c3ccncc3)cc2)c1-c1ccc(-c2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.47
KIF11 P52732 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
GAK O14976 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
NOTUM Q6P988 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
AURKA O14965 1/20 0.42
TTK P33981 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL14680777 0.78 CYP2A6 (0.56) KDM4EKIF11SMN1; SMN2CYP3A4CYP2D6
SCHEMBL13907344 0.77 MAPT (0.73) MAPTLMNAKDM4EKIF11SMN1; SMN2
SCHEMBL29733664 0.76 KDM4E (0.71) MAPTLMNAKDM4EUSP2SMN1; SMN2
SCHEMBL4094356 0.76 KDM4E (0.71) MAPTLMNAKDM4EUSP2SMN1; SMN2
SCHEMBL27993637 0.75 PDGFRB (0.50) MAPTLMNAKDM4EUSP2SMN1; SMN2
SCHEMBL10000032 0.74 MAPT (0.92) MAPTLMNAKDM4EKIF11SMN1; SMN2
SCHEMBL135626 0.74 MAPT (0.92) MAPTLMNAKDM4EKIF11SMN1; SMN2
SCHEMBL14680953 0.73 MAPT (0.58) MAPTLMNAKDM4EUSP2KIF11
SCHEMBL15669200 0.73 GAK (0.50) MAPTKDM4ESMN1; SMN2PDGFRBPDGFRA
SCHEMBL12198319 0.72 CYP17A1 (0.49) MAPTLMNAKDM4EUSP2PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796461-B2 1,2,4,5-substituted phenyl compound, method for producing same and organic electroluminescent device comprising same as constituent TOSOH CORPORATION (JP) 2014-08-05 US disclosed
US-8796461-B2 1,2,4,5-substituted phenyl compound, method for producing same and organic electroluminescent device comprising same as constituent TOSOH CORPORATION (JP) 2014-08-05 US disclosed
US-20130035491-A1 1,2,4, 5-SUBSTITUTED PHENYL COMPOUND, METHOD FOR PRODUCING SAME AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME AS CONSTITUENT TOSOH CORPORATION (JP) 2013-02-07 US disclosed
US-20130035491-A1 1,2,4, 5-SUBSTITUTED PHENYL COMPOUND, METHOD FOR PRODUCING SAME AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME AS CONSTITUENT TOSOH CORPORATION (JP) 2013-02-07 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-20130035491-A1 1,2,4, 5-SUBSTITUTED PHENYL COMPOUND, METHOD FOR PRODUCING SAME AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME AS CONSTITUENT XDH, OR10J3, HAX1 MAPT 3734/4885LMNA 1893/4885KDM4E 335/4885

“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.