SCHEMBL12759347

SCHEMBL12759347

CCCc1ccc(C2CCC(COc3ccc(OCC)c(F)c3F)CO2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.34
DRD4 P21917 5/20 0.34
PDE4B Q07343 1/20 0.32
SLC6A3 Q01959 2/20 0.32
HTR2A P28223 3/20 0.31
HTR2B P41595 3/20 0.31
HTR2C P28335 2/20 0.31
FFAR4 Q5NUL3 1/20 0.30
USP2 O75604 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SSTR5 P35346 1/20 0.30
KCNH2 Q12809 1/20 0.30
ADRB2 P07550 1/20 0.30
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 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
SCHEMBL12759359 0.94 HTR2C (0.31) KDM1ADRD4PDE4BSLC6A3HTR2A
SCHEMBL12759334 0.94 PDE4B (0.37) PDE4BSLC6A3
SCHEMBL12759369 0.93 SMN1; SMN2 (0.31) DRD4PDE4BSLC6A3
SCHEMBL12759352 0.93 SLC6A3 (0.34) KDM1ADRD4PDE4BSLC6A3HTR2A
SCHEMBL12759350 0.92 SPHK1 (0.38)
SCHEMBL12759346 0.91 KDM1A (0.35) KDM1ADRD4PDE4BHTR2AHTR2B
SCHEMBL12759370 0.89 SLC6A3 (0.33) PDE4BSLC6A3
SCHEMBL12759358 0.88 SLC6A3 (0.32) PDE4BSLC6A3HTR2AHTR2BHTR2C
SCHEMBL12759371 0.88 SPHK1 (0.36) USP2
SCHEMBL12759339 0.88 PDE4B (0.36) PDE4BSLC6A3

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 KDM1A 2359/4885DRD4 186/4885PDE4B 1918/4885

“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.