SCHEMBL2393972

SCHEMBL2393972

CCC1CCC(c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.36
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
APP P05067 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
SCHEMBL16258097 0.94 FASN (0.33) FASNCYP3A4CYP2C9APP
SCHEMBL2396510 0.93 FASN (0.35) FASNCYP3A4CYP2C9APP
SCHEMBL12625784 0.92 FASN (0.33) FASNCYP3A4CYP2C9APP
SCHEMBL12625005 0.91 GRM2 (0.33) FASNCYP3A4CYP2C9APP
SCHEMBL13002576 0.90 FASN (0.39) FASNCYP3A4CYP2C9APP
SCHEMBL17070262 0.90 CYP3A4 (0.33) FASNCYP3A4CYP2C9APP
SCHEMBL2398862 0.90 FASN (0.34) FASN
SCHEMBL12625823 0.90 FASN (0.31) FASN
SCHEMBL19829752 0.88 FASN (0.33) FASN
SCHEMBL12625975 0.88 FASN (0.35) FASNCYP3A4CYP2C9APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211513-B2 Liquid-crystalline compounds and liquid-crystalline media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-03 US disclosed
US-8211513-B2 Liquid-crystalline compounds and liquid-crystalline media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-03 US disclosed
US-8211513-B2 Liquid-crystalline compounds and liquid-crystalline media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-03 US disclosed
US-20110233466-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-29 US disclosed
US-20110233466-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-29 US disclosed
US-20110233466-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-29 US disclosed
EP-2368966-A1 Liquid crystalline compounds and liquid crystalline media Merck Patent GmbH (DE) 2011-09-28 EP disclosed
EP-2368966-A1 Liquid crystalline compounds and liquid crystalline media Merck Patent GmbH (DE) 2011-09-28 EP 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-20110233466-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA CFB, CFD, LCT FASN 2699/4885CYP3A4 1213/4885CYP2C9 1926/4885

“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.