SCHEMBL14680959

SCHEMBL14680959

CCCCCCc1cc(-c2cc(-c3ccc(-c4cccnc4)c(CCCCCC)c3)c(-c3ccc(-c4cccnc4)c(CCCCCC)c3)cc2-c2ccc(-c3cccnc3)c(CCCCCC)c2)ccc1-c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
PPARA Q07869 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTAFR P25105 2/20 0.46
ICMT O60725 1/20 0.41
TRPV1 Q8NER1 4/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
TLR8 Q9NR97 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL14492285 0.89 CYP19A1 (0.51) CNR1CNR2PPARATDP1L3MBTL1
SCHEMBL14680905 0.83 CYP3A4 (0.41) TDP1L3MBTL1CYP3A4CYP2D6PTAFR
SCHEMBL21480390 0.81 PPARA (0.55) CNR1CNR2PPARATDP1L3MBTL1
SCHEMBL4585984 0.79 PPARA (0.47) CNR1CNR2PPARATDP1L3MBTL1
Methyl Alcohol SCHEMBL27900235 0.79 TYR (0.46) PPARATDP1CYP3A4
Water SCHEMBL28833009 0.77 TYR (0.43) PPARATDP1CYP3A4TLR8
SCHEMBL19826512 0.76 CYP11B1 (0.47) CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL14680982 0.76 CYP1A2 (0.47) CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL10429729 0.75 LIPG (0.45) PPARA
SCHEMBL13527201 0.74 TDP1 (0.65) PPARATDP1L3MBTL1CYP3A4CYP2D6

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 CNR1 827/4885CNR2 889/4885PPARA 3933/4885

“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.