SCHEMBL12759305

SCHEMBL12759305

C=CC1CCC(c2ccc(COc3ccc(OC)c(F)c3F)cc2)OC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.36
BCHE P06276 1/20 0.33
BTK Q06187 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
NPC1 O15118 4/20 0.31
RAB9A P51151 4/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 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
SCHEMBL12759316 0.93 MAPT (0.34) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL12760364 0.90 MAPT (0.34) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL12760095 0.90 MAPT (0.34) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL12759321 0.89 GABRA1 (0.36) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12759332 0.89 MEN1 (0.35) PPARGMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12759303 0.88 MRGPRX4 (0.35) MRGPRX4BCHEALDH1A1NPC1RAB9A
SCHEMBL12759309 0.85 MRGPRX4 (0.34) MRGPRX4BCHEBTKPPARGNPC1
SCHEMBL12760374 0.85 KDM4E (0.32) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL12760386 0.83 KDM4E (0.33) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12760157 0.82 FFAR4 (0.33) ALDH1A1NPC1RAB9AFFAR4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272837-B1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2014-12-17 EP disclosed
US-7914862-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-03-29 US disclosed
US-7914862-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-03-29 US disclosed
EP-2272837-A1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2011-01-12 EP disclosed
US-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-11-12 US disclosed
US-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-11-12 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-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD2, OCIAD1, CCDC22 MRGPRX4 4738/4885BCHE 4152/4885BTK 1635/4885

“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.