SCHEMBL22255341

SCHEMBL22255341

c1ccc(-c2ccc3cc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc6sc7ccccc7c56)cc4)ccc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
S1PR5 Q9H228 10/20 0.35
S1PR4 O95977 7/20 0.35
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
BACE1 P56817 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALOX5 P09917 1/20 0.32
GPR3 P46089 1/20 0.32
F9 P00740 1/20 0.32

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
SCHEMBL27273770 1.00 HSD17B1 (0.37) HSD17B1HSD17B2ESR1ESR2S1PR5
SCHEMBL23179323 0.99 HSD17B1 (0.36) HSD17B1HSD17B2ESR1ESR2S1PR5
SCHEMBL24841517 0.99 HSD17B1 (0.36) HSD17B1HSD17B2ESR1ESR2S1PR5
SCHEMBL22255764 0.99 ESR1 (0.36) HSD17B1HSD17B2ESR1ESR2S1PR5
SCHEMBL24841780 0.99 HSD17B1 (0.36) HSD17B1HSD17B2ESR1ESR2S1PR5
SCHEMBL24841324 0.99 HSD17B1 (0.36) HSD17B1HSD17B2ESR1ESR2S1PR5
SCHEMBL23179449 0.99 HSD17B1 (0.36) HSD17B1HSD17B2ESR1ESR2S1PR5
SCHEMBL24841752 0.99 HSD17B1 (0.36) HSD17B1HSD17B2ESR1ESR2S1PR5
SCHEMBL23180316 0.98 HSD17B1 (0.35) HSD17B1HSD17B2ESR1ESR2S1PR5
SCHEMBL24842224 0.98 HSD17B1 (0.35) HSD17B1HSD17B2ESR1ESR2S1PR5

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 HSD17B1 617/4885HSD17B2 646/4885ESR1 537/4885

“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.