SCHEMBL22255507

SCHEMBL22255507

c1ccc(-c2ccc3ccc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc6oc7ccccc7c56)cc4)cc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.37
▸ ESR2 Q92731 3/20 0.37
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ PLA2G2A P14555 3/20 0.36
▸ PLA2G4A P47712 3/20 0.36
▸ ANO1 Q5XXA6 1/20 0.36
▸ PLA2G10 O15496 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP1A1 P04798 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ MAPK3 P27361 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL27273630 1.00 ESR1 (0.37) ESR1ESR2HSD17B1HSD17B2PGR
SCHEMBL22255328 0.99 HSD17B1 (0.38) ESR1ESR2HSD17B1HSD17B2PGR
SCHEMBL27273625 0.99 HSD17B1 (0.38) ESR1ESR2HSD17B1HSD17B2PGR
SCHEMBL27272975 0.98 ESR1 (0.35) ESR1ESR2HSD17B1HSD17B2PGR
SCHEMBL23180663 0.97 PLA2G2A (0.39) ESR1ESR2HSD17B1HSD17B2PGR
SCHEMBL23179112 0.97 PLA2G2A (0.39) ESR1ESR2HSD17B1HSD17B2PGR
SCHEMBL23180300 0.97 PLA2G2A (0.39) ESR1ESR2HSD17B1HSD17B2PGR
SCHEMBL23180349 0.97 PLA2G2A (0.39) ESR1ESR2HSD17B1HSD17B2PGR
SCHEMBL23179119 0.97 PLA2G2A (0.39) ESR1ESR2HSD17B1HSD17B2PGR
SCHEMBL24842288 0.97 PLA2G2A (0.39) ESR1ESR2HSD17B1HSD17B2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200235297-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-23 — — 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-20200235297-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC18A2, SLC18A1, MAOA ESR1 537/4885ESR2 1070/4885HSD17B1 617/4885

“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.

Send feedback