SCHEMBL12759297

SCHEMBL12759297

C=CC1CCC(c2ccc(COc3ccc(OCCCC)c(F)c3F)cc2)CO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CNR1 P21554 1/20 0.33
ALOX5 P09917 5/20 0.32
GLA P06280 1/20 0.32
RAB9A P51151 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR1A P08908 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 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
SCHEMBL12759280 0.95 GABRA1 (0.38) GABRA1GABRB2ALOX5HTR1ASLC6A2
SCHEMBL12759271 0.92 ALOX5 (0.34) SMN1; SMN2KMT2AMAPTGABRA1GABRB2
SCHEMBL12759292 0.89 MEN1 (0.34) SMN1; SMN2MEN1KMT2AMAPTCRHBP
SCHEMBL12760294 0.89 KDM4E (0.34) SMN1; SMN2MAPTGABRA1GABRB2ALOX5
SCHEMBL12760090 0.89 KDM4E (0.34) SMN1; SMN2MAPTGABRA1GABRB2ALOX5
SCHEMBL12759266 0.89 MRGPRX4 (0.36) SMN1; SMN2MEN1KMT2AMAPTALOX5
SCHEMBL12759500 0.87 RAB9A (0.34) CNR2GABRA1GABRB2CNR1RAB9A
SCHEMBL13579245 0.87 CNR2 (0.37) CNR2GABRA1GABRB2CNR1RAB9A
SCHEMBL12759293 0.86 ALOX5 (0.41) CNR2SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL12759287 0.84 ALOX5 (0.41) SMN1; SMN2MEN1KMT2AMAPTCRHBP

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 CNR2 775/4885SMN1; SMN2 4615/4885MEN1 3564/4885

“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.