SCHEMBL12759334

SCHEMBL12759334

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.37
SGPL1 O95470 1/20 0.35
S1PR1 P21453 1/20 0.35
FPR2 P25090 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CALM1 P0DP23 1/20 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
SCHEMBL12759347 0.94 KDM1A (0.34) PDE4BSLC6A3
SCHEMBL12759339 0.94 PDE4B (0.36) PDE4BSGPL1S1PR1FPR2SLC6A3
SCHEMBL12759341 0.93 SPHK1 (0.36) PDE4BSGPL1S1PR1
SCHEMBL12759359 0.91 HTR2C (0.31) PDE4BSLC6A3
SCHEMBL12759335 0.91 PDE4B (0.36) PDE4BSGPL1S1PR1FPR2PDE4A
SCHEMBL12759369 0.90 SMN1; SMN2 (0.31) PDE4BSLC6A3SMN1; SMN2
SCHEMBL12759352 0.88 SLC6A3 (0.34) PDE4BSLC6A3NPC1RAB9ASMN1; SMN2
SCHEMBL12759345 0.88 PDE4B (0.35) PDE4BSGPL1S1PR1FPR2PDE4A
SCHEMBL12759350 0.87 SPHK1 (0.38)
SCHEMBL12759370 0.86 SLC6A3 (0.33) PDE4BSLC6A3SMN1; SMN2

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 PDE4B 1918/4885SGPL1 3820/4885S1PR1 2547/4885

“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.