SCHEMBL3779112

SCHEMBL3779112

CCCc1ccc(-c2cccc(-c3ccccn3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
FFAR1 O14842 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
NR1I2 O75469 1/20 0.43
NMBR P28336 1/20 0.43
GRPR P30550 1/20 0.43
BRS3 P32247 1/20 0.43
KCNH2 Q12809 1/20 0.43
FAAH O00519 1/20 0.42
CES1 P23141 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL19102105 0.91 CYP1A2 (0.52) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL18466596 0.89 CYP1A2 (0.58) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL16203117 0.89 CYP1A2 (0.50) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28426269 0.88 CYP1A2 (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL3177333 0.87 CYP1A2 (0.60) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL4472579 0.86 HRH3 (0.54) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2344310 0.85 CYP1A2 (0.58) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL13799170 0.85 FFAR1 (0.46) CYP1A2FFAR1HRH3BRS3FAAH
SCHEMBL5595170 0.82 MCL1 (0.53) FFAR1KCNH2NPC1PKMRAB9A
SCHEMBL26499340 0.82 KDM4E (0.52) CYP1A2HRH3NPC1TP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3855519-A2 STABLE AND EFFICIENT ELECTROLUMINESCENT MATERIALS Universal Display Corporation (US) 2021-07-28 EP disclosed
EP-3428986-B1 STABLE AND EFFICIENT ELECTROLUMINESCENT MATERIALS UNIVERSAL DISPLAY CORP (US) 2021-01-20 EP disclosed
EP-3428986-A1 STABLE AND EFFICIENT ELECTROLUMINESCENT MATERIALS Universal Display Corporation (US) 2019-01-16 EP disclosed
EP-1763902-B1 STABLE AND EFFICIENT ELECTROLUMINESCENT MATERIALS UNIVERSAL DISPLAY CORP (US) 2018-08-29 EP disclosed
US-8603645-B2 Stable and efficient electroluminescent materials UNIVERSAL DISPLAY CORPORATION (US) 2013-12-10 US disclosed
US-20110060143-A1 Stable and Efficient Electroluminescent Materials KWONG RAYMOND 2011-03-10 US disclosed
US-7851072-B2 Stable and efficient electroluminescent materials UNIVERSAL DISPLAY CORPORATION (US) 2010-12-14 US disclosed
US-20070003789-A1 Stable and efficient electroluminescent materials UNIVERSAL DISPLAY CORPORAITON 2007-01-04 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-20110060143-A1 Stable and Efficient Electroluminescent Materials EML4, ITGA5, CHRM5 CYP1A2 636/4885CYP2D6 1013/4885CYP19A1 1905/4885

“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.