SCHEMBL12759265

SCHEMBL12759265

CCOc1ccc(OCc2ccc(C3CCC(CC)OC3)cc2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM1A O60341 4/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
HTR1A P08908 3/20 0.34
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DRD4 P21917 1/20 0.32
TACR2 P21452 1/20 0.32
PKM P14618 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL12759256 0.93 ALOX5 (0.43) ALOX5MAPTSMN1; SMN2SLC6A2SLC6A4
SCHEMBL12759274 0.92 ALOX5 (0.42) ALOX5MAPTSMN1; SMN2KDM1ASLC6A2
SCHEMBL12759287 0.91 ALOX5 (0.41) ALOX5MAPTRAB9ASMN1; SMN2KDM1A
SCHEMBL12759268 0.91 ALOX5 (0.48) ALOX5MAPTKDM4EALDH1A1NPC1
SCHEMBL12759272 0.89 ALOX5 (0.46) ALOX5MAPTKDM4EALDH1A1NPC1
SCHEMBL12759269 0.88 ALOX5 (0.46) ALOX5MAPTKDM4EALDH1A1NPC1
SCHEMBL12760291 0.88 ALOX5 (0.46) ALOX5MAPTKDM4EALDH1A1NPC1
SCHEMBL12759278 0.86 ALOX5 (0.44) ALOX5MAPTKDM4EALDH1A1NPC1
SCHEMBL12759276 0.84 ALOX5 (0.46) ALOX5MAPTSMN1; SMN2KDM1ASLC6A2
SCHEMBL12759257 0.84 ALOX5 (0.46) ALOX5MAPTSMN1; SMN2SLC6A2SLC6A4

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 ALOX5 1008/4885MAPT 375/4885KDM4E 1946/4885

“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.