SCHEMBL803140

SCHEMBL803140

Cc1ccc2c(c1C)CCc1c-2ccc(CP)c1C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL803020 0.85 SLC22A8 (0.34)
SCHEMBL803047 0.77 ESR1 (0.50) TDP2NSD2HSP90AA1PAX8
SCHEMBL5755657 0.75 CYP1A2 (0.31) TDP2NSD2HSP90AA1PAX8
Water SCHEMBL22163766 0.73 CYP1A2 (0.30) TDP2NSD2HSP90AA1PAX8
Hydrochloric Acid SCHEMBL22129239 0.73 CYP1A2 (0.30) TDP2NSD2HSP90AA1PAX8
Bromide SCHEMBL22129268 0.73 CYP1A2 (0.30) TDP2NSD2HSP90AA1PAX8
SCHEMBL13923766 0.68 ALDH1A1 (0.47) TDP2NSD2HSP90AA1PAX8
SCHEMBL14127999 0.68 NOS3 (0.35)
SCHEMBL802741 0.66 ESR1 (0.49)
SCHEMBL14967691 0.63 TDP2 (0.43) TDP2NSD2HSP90AA1PAX8

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 TDP2 2485/4885NSD2 1615/4885HSP90AA1 3349/4885

“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.