SCHEMBL17356258

SCHEMBL17356258

c1ccc(-c2cc3cc4sc5cc(-c6ccc7c(c6)sc6cc8cc(-c9ccccc9)sc8cc67)ccc5c4cc3s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.49
ESR2 Q92731 4/20 0.49
APP P05067 2/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
F9 P00740 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
LIMK1 P53667 1/20 0.38
PIK3CA P42336 1/20 0.37
PI4KA P42356 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL17356257 0.94 ESR1 (0.49) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL21166599 0.92 ESR1 (0.56) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL25451947 0.85 ESR1 (0.53) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL21166680 0.84 ESR1 (0.56) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL22268487 0.82 LIMK1 (0.49) ESR1ESR2F9LIMK1PIK3CA
SCHEMBL18329359 0.82 LIMK1 (0.49) ESR1ESR2F9LIMK1PIK3CA
SCHEMBL22375204 0.82 LIMK1 (0.49) ESR1ESR2F9LIMK1PIK3CA
SCHEMBL12562738 0.82 ESR1 (0.61) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL20804575 0.82 ESR1 (0.61) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL2150417 0.82 ESR1 (0.66) ESR1ESR2APPHSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9985222-B2 Organic compound, and organic thin film and electronic device SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-29 US disclosed
US-9985222-B2 Organic compound, and organic thin film and electronic device SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-29 US disclosed
US-20150372241-A1 ORGANIC COMPOUND, AND ORGANIC THIN FILM AND ELECTRONIC DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-12-24 US disclosed
US-20150372241-A1 ORGANIC COMPOUND, AND ORGANIC THIN FILM AND ELECTRONIC DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-12-24 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-20150372241-A1 ORGANIC COMPOUND, AND ORGANIC THIN FILM AND ELECTRONIC DEVICE OCIAD1, POU2F1, SLCO2A1 ESR1 107/4885ESR2 619/4885APP 698/4885

“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.