SCHEMBL14680982

SCHEMBL14680982

CCCCCCc1cc(-c2cc(-c3ccc(-c4ccccn4)c(CCCCCC)c3)c(-c3ccc(-c4ccccn4)c(CCCCCC)c3)cc2-c2ccc(-c3ccccn3)c(CCCCCC)c2)ccc1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GPR3 P46089 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
GAS6 Q14393 1/20 0.37

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
SCHEMBL28260146 0.85 CYP1A2 (0.48) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL21565078 0.83 LIPG (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2955776 0.83 LIPG (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28454176 0.79 NPC1 (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28444772 0.79 NR1H2 (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL19116656 0.78 GRM5 (0.44) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28456431 0.78 NPC1 (0.43) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL14680905 0.77 CYP3A4 (0.41) CYP2D6GPR3LIPG
SCHEMBL4725082 0.76 CYP1A2 (0.49) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28450618 0.76 METAP2 (0.43) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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 2 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-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 CYP1A2 619/4885CYP2D6 992/4885CYP19A1 2068/4885

“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.