SCHEMBL13367357

SCHEMBL13367357

CN(c1ccc(C(C)(C)C)cc1)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.49
CYP2D6 P10635 2/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
ADRA2A P08913 1/20 0.49
ACHE P22303 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
KCNH2 Q12809 1/20 0.49
DHFR P00374 1/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
CCR4 P51679 1/20 0.37
NLRP3 Q96P20 1/20 0.37
HSD17B2 P37059 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
Hydrochloric Acid SCHEMBL29083708 0.98 SIGMAR1 (0.48) SIGMAR1CYP2D6NR1I2LMNAADRA2A
SCHEMBL13367489 0.88 SIGMAR1 (0.45) SIGMAR1CYP2D6NR1I2LMNAADRA2A
SCHEMBL10053555 0.85 SIGMAR1 (0.47) SIGMAR1CYP2D6NR1I2LMNAADRA2A
SCHEMBL15801361 0.83 SIGMAR1 (0.46) SIGMAR1CYP2D6NR1I2LMNAADRA2A
SCHEMBL30776215 0.82 SIGMAR1 (0.52) SIGMAR1CYP2D6DHFRCYP1A2CYP2C19
SCHEMBL1414206 0.82 SIGMAR1 (0.57) SIGMAR1CYP2D6DHFRCYP1A2CYP2C19
SCHEMBL15783212 0.82 SIGMAR1 (0.44) SIGMAR1CYP2D6NR1I2LMNAADRA2A
SCHEMBL13367562 0.81 ACHE (0.39) SIGMAR1CYP2D6NR1I2LMNAADRA2A
SCHEMBL12048738 0.81 SIGMAR1 (0.50) SIGMAR1CYP2D6DHFRCYP1A2CYP2C19
SCHEMBL12047903 0.81 SIGMAR1 (0.50) SIGMAR1CYP2D6DHFRCYP1A2CYP2C19

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-20160204345-A1 DITRIPHENYLENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORP. (TW) 2016-07-14 US disclosed
US-9166177-B2 Ditriphenylene derivative and organic electroluminescent device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2015-10-20 US disclosed
US-8993130-B2 Organic compound and organic electroluminescent device using the same Yen, Feng-wen (TW) 2015-03-31 US disclosed
US-20140231754-A1 DITRIPHENYLENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Yen, Feng-wen (TW) 2014-08-21 US disclosed
US-20140166988-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2014-06-19 US disclosed
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 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 (2 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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 SIGMAR1 699/4885CYP2D6 1421/4885NR1I2 805/4885
US-20160204345-A1 DITRIPHENYLENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME NR2E1, NR0B1, NR2E3 SIGMAR1 345/4885CYP2D6 3385/4885NR1I2 157/4885

“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.