SCHEMBL12930552

SCHEMBL12930552

CCCC1CCC(c2ccc(-c3ccc(OC=C(F)F)c(F)c3)cc2)OC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.41
DGAT1 O75907 1/20 0.30
KDM1A O60341 2/20 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
SCHEMBL12930555 0.89 FASN (0.43) FASNDGAT1
SCHEMBL15460692 0.84 FASN (0.32) FASN
SCHEMBL15460828 0.82 FASN (0.32) FASN
SCHEMBL15460862 0.80 FASN (0.37) FASN
SCHEMBL12930554 0.80 FASN (0.51) FASNDGAT1
SCHEMBL16591211 0.80 FASN (0.51) FASNDGAT1
SCHEMBL14621251 0.79 FASN (0.48) FASNDGAT1
SCHEMBL15460827 0.78
SCHEMBL15744345 0.78 FASN (0.47) FASNDGAT1
SCHEMBL13198641 0.78 CYP2C9 (0.44) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8585922-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2013-11-19 US disclosed
US-20110001090-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-06 US disclosed
US-20110001090-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-06 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-20110001090-A1 LIQUID-CRYSTALLINE MEDIUM CHRM1, EML4, L1CAM FASN 4509/4885DGAT1 4700/4885KDM1A 3645/4885

“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.