SCHEMBL803018

SCHEMBL803018

CCc1ccc2c(c1C)C(C)(C)c1c-2ccc(CP)c1C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL803030 0.83 PDCD1 (0.30)
SCHEMBL803020 0.73 SLC22A8 (0.34)
SCHEMBL28184235 0.66 GABRA1 (0.41) ESR1ESR2
SCHEMBL802741 0.65 ESR1 (0.49) ESR1ESR2
SCHEMBL27952543 0.62 ALDH1A1 (0.40)
SCHEMBL28240102 0.62 TDP2 (0.33)
SCHEMBL599099 0.61 GABRA1 (0.57) PDK2
SCHEMBL5755657 0.61 CYP1A2 (0.31)
SCHEMBL9838545 0.60 GABRA1 (0.36)
Ammonia Solution, Strong SCHEMBL9357829 0.60 GABRA1 (0.55) PDK2

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 PDK2 944/4885ESR1 1013/4885ESR2 2665/4885

“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.