SCHEMBL2396510

SCHEMBL2396510

CCCC1CCC(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 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.35
CYP2C9 P11712 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.30
APP P05067 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
SCHEMBL16258061 0.94 CYP2C9 (0.35) FASNCYP2C9ALDH1A1LMNAMAPT
SCHEMBL2398862 0.93 FASN (0.34) FASNMAPT
SCHEMBL2393972 0.93 FASN (0.36) FASNCYP2C9CYP3A4APP
SCHEMBL12625795 0.92 CYP2C9 (0.34) FASNCYP2C9ALDH1A1LMNAMAPT
SCHEMBL15744862 0.92 CYP2C9 (0.34) FASNCYP2C9ALDH1A1LMNAMAPT
SCHEMBL15744603 0.92 CYP2C9 (0.34) FASNCYP2C9ALDH1A1LMNAMAPT
SCHEMBL12625975 0.91 FASN (0.35) FASNCYP2C9CYP3A4APP
SCHEMBL12625007 0.91 CYP2C9 (0.34) FASNCYP2C9ALDH1A1LMNAMAPT
SCHEMBL12626255 0.91 FASN (0.33) FASN
SCHEMBL13002531 0.90 CYP2C9 (0.41) FASNCYP2C9ALDH1A1LMNAMAPT

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 10 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
US-7846514-B2 Liquid crystal compound, liquid crystal composition and, liquid crystal display device CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-20100073621-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2010-03-25 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 (2 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-20100073621-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT TRPV4, TRPV5, ZKSCAN2 FASN 1925/4885CYP2C9 2077/4885ALDH1A1 4257/4885
US-20110233466-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA CFB, CFD, LCT FASN 2699/4885CYP2C9 1926/4885ALDH1A1 3777/4885

“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.