SCHEMBL2964464

SCHEMBL2964464

c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)ccc34)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
ALOX5 P09917 2/20 0.48
HSD17B1 P14061 2/20 0.47
HSD17B2 P37059 2/20 0.47
GSTP1 P09211 1/20 0.45
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
PDE9A O76083 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
IKBKB O14920 1/20 0.41

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
SCHEMBL269358 1.00 ESR1 (0.50) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL21238074 0.96 ESR1 (0.52) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL19720301 0.96 ESR1 (0.52) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL18880023 0.94 CYP1B1 (0.48) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL259152 0.94 ESR1 (0.50) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL29375861 0.94 ESR1 (0.50) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL15366790 0.92 ESR1 (0.47) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL28538557 0.92 ESR1 (0.49) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL27367720 0.92 ESR1 (0.52) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL3867431 0.91 ESR1 (0.48) ESR1ESR2ALOX5HSD17B1HSD17B2

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-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 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-20100025661-A1 Luminescent material and organic electroluminescent device using the same TRPV3, TRPC3, HVCN1 ESR1 1031/4885ESR2 260/4885ALOX5 3401/4885

“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.