SCHEMBL12760163

SCHEMBL12760163

CCCC1CCC(C2CCC(COc3ccc(-c4ccc(OCC)c(F)c4F)cc3)OC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PPARG P37231 1/20 0.34
HIF1A Q16665 1/20 0.34
FFAR4 Q5NUL3 2/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
NLRP3 Q96P20 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
FPR2 P25090 2/20 0.32
SSTR5 P35346 2/20 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
SCHEMBL12760128 0.94 SSTR5 (0.34) FFAR4NPC1CASP3RAB9ASENP8
SCHEMBL12759843 0.92 ALDH1A1 (0.34) TP53MAPTHPGDTSHRMEN1
SCHEMBL12760228 0.91 FFAR4 (0.33) TP53MAPTHPGDTSHRMEN1
SCHEMBL22277527 0.89 FFAR4 (0.38) FFAR4NPC1CASP3RAB9ASENP8
SCHEMBL12759229 0.89 HRH3 (0.36) TSHRALDH1A1KCNH2GRIN1GRIN2B
SCHEMBL12760346 0.89 HRH3 (0.36) TSHRALDH1A1KCNH2GRIN1GRIN2B
SCHEMBL12760085 0.89 HRH3 (0.36) TSHRALDH1A1KCNH2GRIN1GRIN2B
SCHEMBL12759736 0.88 SSTR5 (0.34) TP53MAPTHPGDTSHRMEN1
SCHEMBL12760204 0.87 SSTR5 (0.34) TP53MAPTHPGDTSHRMEN1
SCHEMBL12759921 0.86 ESR1 (0.33) TP53MAPTHPGDTSHRMEN1

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 TP53 3243/4885MAPT 375/4885HPGD 3223/4885

“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.