SCHEMBL12759266

SCHEMBL12759266

C=CC1CCC(c2ccc(COc3ccc(OC)c(F)c3F)cc2)CO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.36
HTR1A P08908 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
ALOX5 P09917 2/20 0.34
CSF1R P07333 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
BCHE P06276 1/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL12759271 0.92 ALOX5 (0.34) HTR1AALDH1A1ALOX5NPC1RAB9A
SCHEMBL12760090 0.89 KDM4E (0.34) HTR1AALDH1A1ALOX5NPC1RAB9A
SCHEMBL12759280 0.89 GABRA1 (0.38) HTR1AALOX5SLC6A2SLC6A4SLC6A3
SCHEMBL12760294 0.89 KDM4E (0.34) HTR1AALDH1A1ALOX5NPC1RAB9A
SCHEMBL12759297 0.89 CNR2 (0.35) HTR1AALDH1A1PPARGALOX5RAB9A
SCHEMBL12759263 0.88 MRGPRX4 (0.35) MRGPRX4HTR1AALOX5CSF1RPDE4A
SCHEMBL12759267 0.85 ALOX5 (0.43) MRGPRX4HTR1AALOX5CSF1RPDE4A
SCHEMBL12760310 0.84 KDM4E (0.32) HTR1AALDH1A1NPC1RAB9AMAPT
SCHEMBL12760088 0.84 KDM4E (0.32) HTR1AALDH1A1NPC1RAB9AMAPT
SCHEMBL12759256 0.82 ALOX5 (0.43) MRGPRX4HTR1AALOX5CSF1RPDE4A

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 4738/4885HTR1A 2791/4885ALDH1A1 4178/4885

“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.