SCHEMBL21396881

SCHEMBL21396881

c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.66
CYP2A6 P11509 4/20 0.65
ALDH1A1 P00352 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
MKNK1 Q9BUB5 4/20 0.62
MKNK2 Q9HBH9 4/20 0.62
MEN1 O00255 1/20 0.62
PSIP1 O75475 1/20 0.62
AXL P30530 1/20 0.62
CYP11B2 P19099 4/20 0.60
CYP11B1 P15538 3/20 0.60
CYP17A1 P05093 1/20 0.60
KMO O15229 1/20 0.59
EPHX2 P34913 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
GLO1 Q04760 1/20 0.51
KIF11 P52732 1/20 0.50
DYRK1A Q13627 1/20 0.50
DYRK1B Q9Y463 1/20 0.50

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
SCHEMBL18134287 1.00 CYP19A1 (0.66) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL18650174 1.00 CYP19A1 (0.66) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL18134279 1.00 CYP19A1 (0.66) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL15982379 1.00 CYP19A1 (0.66) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL24492828 1.00 CYP19A1 (0.66) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL18134293 1.00 CYP19A1 (0.66) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL24493204 1.00 CYP19A1 (0.66) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL17189941 1.00 CYP19A1 (0.66) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL5531183 1.00 CYP19A1 (0.66) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL29697516 1.00 CYP19A1 (0.66) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230209858-A1 Organic Light-Emitting Diode LG DISPLAY CO., LTD. (KR) 2023-06-29 US disclosed
US-20220213098-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2022-07-07 US disclosed
US-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-09-26 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 CYP19A1 1257/4885CYP2A6 1276/4885ALDH1A1 242/4885
US-20220213098-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 CYP19A1 13/4885CYP2A6 80/4885ALDH1A1 8/4885

“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.