SCHEMBL803047

SCHEMBL803047

Cc1ccc2c(c1C)OCc1c-2ccc(CP)c1C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
KCNJ1 P48048 8/20 0.39
KCNH2 Q12809 2/20 0.39
PGR P06401 1/20 0.31
TDP2 O95551 1/20 0.30
NSD2 O96028 1/20 0.30
HSP90AA1 P07900 1/20 0.30
PAX8 Q06710 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
SCHEMBL802741 0.87 ESR1 (0.49) ESR1ESR2KCNJ1KCNH2
SCHEMBL803200 0.84 ESR1 (0.62) ESR1ESR2KCNJ1KCNH2PGR
SCHEMBL803140 0.77 TDP2 (0.31) TDP2NSD2HSP90AA1PAX8
SCHEMBL22650585 0.74 ESR1 (0.51) ESR1ESR2KCNJ1PGRTDP2
SCHEMBL802785 0.74 ESR1 (0.51) ESR1ESR2KCNJ1PGRTDP2
SCHEMBL802620 0.72 ESR1 (0.43) ESR1ESR2KCNJ1KCNH2
SCHEMBL22644204 0.72 ESR1 (0.43) ESR1ESR2KCNJ1KCNH2
SCHEMBL23289004 0.71 ESR1 (0.42) ESR1ESR2KCNJ1KCNH2
SCHEMBL21451571 0.71 ESR1 (0.51) ESR1ESR2KCNJ1KCNH2PGR
SCHEMBL23284915 0.69 ESR1 (0.44) ESR1ESR2TDP2NSD2HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096795-B2 Liquid crystal display MERCK PATENT GMBH (DE) 2015-08-04 US disclosed
US-20120069289-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-22 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-20120069289-A1 LIQUID CRYSTAL DISPLAY LPXN, VCL, ACP3 ESR1 1013/4885ESR2 2665/4885KCNJ1 4730/4885

“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.