SCHEMBL12759352

SCHEMBL12759352

CCCCc1ccc(C2CCC(COc3ccc(OCC)c(F)c3F)CO2)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.34
SPHK1 Q9NYA1 5/20 0.33
KDM1A O60341 2/20 0.33
DRD4 P21917 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
PDE4B Q07343 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SPHK2 Q9NRA0 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL12759350 0.97 SPHK1 (0.38) SPHK1THRATHRBSPHK2
SCHEMBL12759370 0.96 SLC6A3 (0.33) SLC6A3SPHK1THRATHRBPDE4B
SCHEMBL12759358 0.95 SLC6A3 (0.32) SLC6A3SPHK1THRATHRBPDE4B
SCHEMBL12759339 0.95 PDE4B (0.36) SLC6A3SPHK1PDE4BNPC1TP53
SCHEMBL12759347 0.93 KDM1A (0.34) SLC6A3KDM1ADRD4PDE4BHTR2A
SCHEMBL12759371 0.93 SPHK1 (0.36) SPHK1THRATHRBSMN1; SMN2SPHK2
SCHEMBL12759341 0.92 SPHK1 (0.36) SPHK1THRATHRBPDE4BSPHK2
SCHEMBL12759361 0.92 SPHK1 (0.36) SPHK1THRATHRBSPHK2
SCHEMBL12759369 0.91 SMN1; SMN2 (0.31) SLC6A3SPHK1DRD4PDE4BSMN1; SMN2
SCHEMBL12759346 0.89 KDM1A (0.35) KDM1ADRD4PDE4BHTR2AHTR2C

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 SLC6A3 3264/4885SPHK1 750/4885KDM1A 2359/4885

“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.