SCHEMBL25550880

SCHEMBL25550880

c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3cccc4c3oc3c(-c5ccccc5)cc(-c5ccccc5)cc34)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
CYP1A1 P04798 5/20 0.33
CYP1B1 Q16678 5/20 0.33
CYP1A2 P05177 5/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2B6 P20813 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE5A O76074 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
ABCB1 P08183 1/20 0.33
MAPT P10636 1/20 0.33
CYP19A1 P11511 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
TACR2 P21452 1/20 0.33

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
SCHEMBL25550881 0.96 CA12 (0.33) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2
SCHEMBL25551001 0.93 HSD17B1 (0.34) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2
SCHEMBL25550878 0.93 HSD17B1 (0.34) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2
SCHEMBL25550889 0.93 HSD17B1 (0.34) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2
SCHEMBL25550896 0.93 CA12 (0.34) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2
SCHEMBL25550883 0.92 CA12 (0.37) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2
SCHEMBL25550930 0.92 CYP1A1 (0.40) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2
SCHEMBL25550873 0.92 CA12 (0.37) HSD17B1HSD17B2CYP1A1CYP1B1CYP2C9
SCHEMBL25550404 0.91 HSD17B1 (0.36) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2
SCHEMBL25550877 0.91 GPR84 (0.35) HSD17B1HSD17B2KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230172059-A1 LIGHT EMITTING ELEMENT AND AMINE COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-01 US disclosed
US-20230172059-A1 LIGHT EMITTING ELEMENT AND AMINE COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-01 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 (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-20230172059-A1 LIGHT EMITTING ELEMENT AND AMINE COMPOUND FOR THE SAME ESR1, NFE2L2, LAGE3 HSD17B1 4251/4885HSD17B2 3607/4885CYP1A1 1085/4885

“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.