SCHEMBL21885043

SCHEMBL21885043

c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc6c7ccccc7c7c(-c8ccccc8)c8ccccc8n7c56)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.33
HSD17B2 P37059 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GPR84 Q9NQS5 1/20 0.30
SOS1 Q07889 1/20 0.30

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
SCHEMBL21885327 0.89 TSPO (0.33)
SCHEMBL21885772 0.89 CA12 (0.32) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL21885039 0.88 MAPK14 (0.31)
SCHEMBL21885237 0.88 F9 (0.31)
SCHEMBL21885179 0.88 ESR1 (0.33) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL21885045 0.88 GPR84 (0.30) GPR84
SCHEMBL21885036 0.86
SCHEMBL21885311 0.86 CA12 (0.39) HSD17B1HSD17B2CYP2C9CYP2C19CA12
SCHEMBL21885753 0.86 CA12 (0.35) CYP1A2CYP2C9CYP2C19CA12CA1
SCHEMBL21885033 0.86 CA12 (0.34) CYP1A2CYP2C9CYP2C19CA12CA1

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-11737355-B2 Organic electroluminescence device and amine compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-22 US disclosed
US-11737355-B2 Organic electroluminescence device and amine compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-22 US disclosed
US-20200106022-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND AMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-02 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-20200106022-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND AMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE MAOA, PNMT, TPH1 HSD17B1 2146/4885HSD17B2 2137/4885CYP1A2 284/4885
US-11737355-B2 Organic electroluminescence device and amine compound for organic electroluminescence device MAOA, PNMT, TPH1 HSD17B1 2146/4885HSD17B2 2137/4885CYP1A2 284/4885

“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.