SCHEMBL2454747

SCHEMBL2454747

[CH2]Cc1ccc(C)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.59
CYP2A6 P11509 3/20 0.46
DAO P14920 1/20 0.42
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 2/20 0.37
NPBWR1 P48145 1/20 0.33
ACHE P22303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
PABPC1 P11940 1/20 0.32

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
SCHEMBL8816153 0.86 CYP1A2 (0.65) CYP1A2CYP2A6DAOALDH1A1CYP3A4
SCHEMBL7653968 0.83 CYP1A2 (0.54) CYP1A2CYP2A6DAOALDH1A1CYP3A4
SCHEMBL3078325 0.82 CYP1A2 (0.59) CYP1A2CYP2A6DAOALDH1A1CYP3A4
SCHEMBL7654607 0.79 CYP1A2 (0.50) CYP1A2CYP2A6DAOALDH1A1CYP3A4
SCHEMBL30975074 0.79 CYP1A2 (0.62) CYP1A2CYP2A6DAOALDH1A1CYP3A4
SCHEMBL9519292 0.79 CYP1A2 (0.62) CYP1A2CYP2A6DAOALDH1A1CYP3A4
SCHEMBL7754391 0.79 CYP1A2 (0.62) CYP1A2CYP2A6DAOALDH1A1CYP3A4
SCHEMBL10602531 0.78 CYP1A2 (0.54) CYP1A2CYP2A6CYP3A4CYP2C19CYP2D6
SCHEMBL7648088 0.78 CYP1A2 (0.48) CYP1A2CYP2A6DAOALDH1A1CYP3A4
SCHEMBL19676944 0.77 CYP1A2 (0.59) CYP1A2CYP2A6DAOALDH1A1CYP3A4

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-1640430-B1 Luminescent material and organic electroluminescent device using the same JNC CORP (JP) 2011-09-21 EP disclosed
EP-2177586-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2010-04-21 EP disclosed
EP-1640430-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-03-29 EP disclosed
US-20060014046-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-01-19 US disclosed
CN-1149214-C Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient ������������ʽ���� 2004-05-12 CN disclosed
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
CN-1293674-A Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2001-05-02 CN disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP 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-20060014046-A1 Luminescent material and organic electroluminescent device using the same C1S, EPB41, EPB41L2 CYP1A2 829/4885CYP2A6 1866/4885DAO 4223/4885

“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.