SCHEMBL20010185

SCHEMBL20010185

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-c6ccc(-c7cccnc7)nc6)cc5c5ccccc5c4c3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.46
CYP11B1 P15538 4/20 0.46
CYP11B2 P19099 3/20 0.46
CYP19A1 P11511 2/20 0.46
CYP17A1 P05093 1/20 0.46
DHODH Q02127 1/20 0.45
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.43
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
KMO O15229 1/20 0.43

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
SCHEMBL20010044 0.99 CYP19A1 (0.48) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL20009870 0.96 CYP2A6 (0.47) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL20010043 0.95 CYP2A6 (0.46) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL15459428 0.91 CYP2A6 (0.53) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL15459497 0.91 CYP2A6 (0.53) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL15459436 0.91 CYP2A6 (0.53) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL19172029 0.91 CYP2A6 (0.53) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL15459489 0.91 CYP2A6 (0.53) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL15459470 0.91 CYP2A6 (0.53) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL15459454 0.91 CYP2A6 (0.53) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210320261-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2021-10-14 US disclosed
US-11081648-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2021-08-03 US disclosed
US-10468605-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2019-11-05 US disclosed
US-20180090686-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2018-03-29 US disclosed
US-20180090686-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2018-03-29 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 (4 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-20180090686-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OCIAD1, OCIAD2, AOX1 CYP2A6 547/4885CYP11B1 1561/4885CYP11B2 1249/4885
US-20210320261-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OCIAD1, OCIAD2, AOX1 CYP2A6 560/4885CYP11B1 1434/4885CYP11B2 1112/4885
US-10468605-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD1, OCIAD2, AOX1 CYP2A6 547/4885CYP11B1 1561/4885CYP11B2 1249/4885
US-11081648-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD1, OCIAD2, AOX1 CYP2A6 547/4885CYP11B1 1561/4885CYP11B2 1249/4885

“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.