SCHEMBL13836627

SCHEMBL13836627

c1ccc(-c2cc(-c3ccc4ccccc4c3)ccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.54
CYP1B1 Q16678 1/20 0.54
CYP17A1 P05093 1/20 0.53
CYP19A1 P11511 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
ASIC3 Q9UHC3 1/20 0.52
MAPKAPK2 P49137 1/20 0.48
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
GSK3B P49841 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL30521932 1.00 CYP1A1 (0.54) CYP1A1CYP1B1CYP17A1CYP19A1CYP11B1
SCHEMBL28136196 0.95 CYP1A1 (0.53) CYP1A1CYP1B1CYP17A1CYP19A1CYP11B1
SCHEMBL25954683 0.92 MAPKAPK2 (0.53) CYP1A1CYP1B1CYP17A1CYP19A1CYP11B1
SCHEMBL25633168 0.91 SIRT2 (0.50) CYP1A1CYP1B1CYP17A1CYP19A1CYP11B1
SCHEMBL18334883 0.88 NPC1 (0.50) CYP1A1CYP1B1CYP17A1CYP19A1CYP11B1
SCHEMBL15977625 0.87 CYP1A1 (0.43) CYP1A1CYP1B1CYP17A1CYP19A1CYP11B1
SCHEMBL24291931 0.86 ASIC3 (0.61) ASIC3MAPKAPK2SMN1; SMN2NPC1RAB9A
SCHEMBL29854571 0.86 ASIC3 (0.61) ASIC3MAPKAPK2SMN1; SMN2NPC1RAB9A
SCHEMBL17694751 0.86 ASIC3 (0.61) ASIC3MAPKAPK2SMN1; SMN2NPC1RAB9A
SCHEMBL21692157 0.86 ASIC3 (0.65) ASIC3MAPKAPK2ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212197-B2 Phosphorescent heteroleptic phenylbenzimidazole dopants UNIVERSAL DISPLAY CORPORATION (US) 2015-12-15 US disclosed
US-9212197-B2 Phosphorescent heteroleptic phenylbenzimidazole dopants UNIVERSAL DISPLAY CORPORATION (US) 2015-12-15 US disclosed
US-9212197-B2 Phosphorescent heteroleptic phenylbenzimidazole dopants UNIVERSAL DISPLAY CORPORATION (US) 2015-12-15 US disclosed
US-20120292600-A1 PHOSPHORESCENT HETEROLEPTIC PHENYLBENZIMIDAZOLE DOPANTS UNIVERSAL DISPLAY CORPORATION (US) 2012-11-22 US disclosed
US-20120292600-A1 PHOSPHORESCENT HETEROLEPTIC PHENYLBENZIMIDAZOLE DOPANTS UNIVERSAL DISPLAY CORPORATION (US) 2012-11-22 US disclosed
US-20120292600-A1 PHOSPHORESCENT HETEROLEPTIC PHENYLBENZIMIDAZOLE DOPANTS UNIVERSAL DISPLAY CORPORATION (US) 2012-11-22 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-20120292600-A1 PHOSPHORESCENT HETEROLEPTIC PHENYLBENZIMIDAZOLE DOPANTS OCIAD1, OCIAD2, ODC1 CYP1A1 3610/4885CYP1B1 3505/4885CYP17A1 4825/4885

“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.