SCHEMBL803264

SCHEMBL803264

Cc1ccc(-c2ccc3c(c2C)COc2c-3ccc(-c3ccc(C)cc3)c2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.56
ESR2 Q92731 2/20 0.56
KCNJ1 P48048 2/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MAPT P10636 2/20 0.33
PTGS1 P23219 1/20 0.31
PGR P06401 3/20 0.31
KCNH2 Q12809 1/20 0.31
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 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
SCHEMBL802785 0.92 ESR1 (0.51) ESR1ESR2KCNJ1PDE3BPDE3A
SCHEMBL803200 0.74 ESR1 (0.62) ESR1ESR2KCNJ1PGRKCNH2
SCHEMBL802620 0.73 ESR1 (0.43) ESR1ESR2KCNJ1KCNH2
SCHEMBL6830103 0.71 ESR1 (1.00) ESR1ESR2KCNJ1KCNH2
SCHEMBL22650585 0.66 ESR1 (0.51) ESR1ESR2KCNJ1PGR
SCHEMBL21451571 0.66 ESR1 (0.51) ESR1ESR2KCNJ1PGRKCNH2
SCHEMBL803047 0.65 ESR1 (0.50) ESR1ESR2KCNJ1PGRKCNH2
SCHEMBL14985614 0.63 ESR1 (0.41) ESR1ESR2PGR
SCHEMBL23284915 0.63 ESR1 (0.44) ESR1ESR2MAPTPARP10PARP11
SCHEMBL13377972 0.62 NPC1 (0.48) ESR2MAPTPARP10PARP11

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.