SCHEMBL12759332

SCHEMBL12759332

C=CC1CCC(c2ccc(COc3ccc(OCCCC)c(F)c3F)cc2)OC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 2/20 0.33
ALOX5 P09917 5/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CNR1 P21554 1/20 0.31
PSEN1 P49768 4/20 0.30
PTGES O14684 3/20 0.30
PPARG P37231 2/20 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
SCHEMBL12759321 0.95 GABRA1 (0.36) MAPTSMN1; SMN2GABRA1GABRB2
SCHEMBL12759316 0.93 MAPT (0.34) MAPTKMT2ASMN1; SMN2
SCHEMBL12760364 0.90 MAPT (0.34) MAPTKMT2ASMN1; SMN2GABRA1GABRB2
SCHEMBL12760095 0.90 MAPT (0.34) MAPTKMT2ASMN1; SMN2GABRA1GABRB2
SCHEMBL12759330 0.89 MEN1 (0.34) MEN1MAPTCRHBPHTTKMT2A
SCHEMBL12759305 0.89 MRGPRX4 (0.36) MEN1MAPTCRHBPHTTKMT2A
SCHEMBL12759522 0.87 CRBN (0.32) CNR2
SCHEMBL12759333 0.86 ALOX5 (0.35) MEN1MAPTCRHBPHTTKMT2A
SCHEMBL12760374 0.84 KDM4E (0.32) MAPTSMN1; SMN2
SCHEMBL12759325 0.84 MAPT (0.36) MEN1MAPTCRHBPHTTKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 3564/4885MAPT 375/4885CRHBP 3555/4885

“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.