SCHEMBL20009945

SCHEMBL20009945

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cc(-c6cccnc6)nc(-c6ccccn6)c5)c4)cc3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.62
CYP2A6 P11509 4/20 0.54
TP53 P04637 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
PKM P14618 2/20 0.46
TSHR P16473 2/20 0.46
KMO O15229 1/20 0.45
GRM5 P41594 2/20 0.45
DHODH Q02127 1/20 0.42
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
ALPL P05186 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL20009952 1.00 CYP19A1 (0.62) CYP19A1CYP2A6TP53SMN1; SMN2RAB9A
SCHEMBL20010112 0.99 CYP19A1 (0.61) CYP19A1CYP2A6TP53SMN1; SMN2RAB9A
SCHEMBL20010116 0.99 CYP19A1 (0.61) CYP19A1CYP2A6TP53SMN1; SMN2RAB9A
SCHEMBL20010127 0.99 CYP19A1 (0.61) CYP19A1CYP2A6TP53SMN1; SMN2RAB9A
SCHEMBL20010126 0.96 CYP19A1 (0.60) CYP19A1CYP2A6TP53SMN1; SMN2RAB9A
SCHEMBL20010255 0.96 CYP19A1 (0.68) CYP19A1CYP2A6TP53SMN1; SMN2RAB9A
SCHEMBL20009949 0.96 CYP19A1 (0.68) CYP19A1CYP2A6TP53SMN1; SMN2RAB9A
SCHEMBL23712272 0.91 CYP19A1 (0.76) CYP19A1CYP2A6TP53SMN1; SMN2RAB9A
SCHEMBL20010268 0.91 CYP19A1 (0.76) CYP19A1CYP2A6TP53SMN1; SMN2RAB9A
SCHEMBL18680032 0.90 CYP19A1 (0.59) CYP19A1CYP2A6TP53SMN1; SMN2RAB9A

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 CYP19A1 1250/4885CYP2A6 547/4885TP53 3729/4885
US-20210320261-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OCIAD1, OCIAD2, AOX1 CYP19A1 1268/4885CYP2A6 560/4885TP53 3540/4885
US-10468605-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD1, OCIAD2, AOX1 CYP19A1 1250/4885CYP2A6 547/4885TP53 3729/4885
US-11081648-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD1, OCIAD2, AOX1 CYP19A1 1250/4885CYP2A6 547/4885TP53 3729/4885

“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.