SCHEMBL8959519

SCHEMBL8959519

C=CCCC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OC)c(F)c5F)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
FPR2 P25090 2/20 0.32
APP P05067 2/20 0.31
FASN P49327 1/20 0.31
KDM1A O60341 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL8933818 0.97 CYP3A4 (0.34) CYP3A4CYP2C9FPR2APPFASN
SCHEMBL8959522 0.91 KDM1A (0.35) CYP3A4CYP2C9FPR2APPFASN
SCHEMBL10030938 0.90 DGAT1 (0.35) CYP3A4CYP2C9FPR2PDE4APDE4B
SCHEMBL8959897 0.90 HTR2C (0.32) CYP3A4CYP2C9PDE4APDE4BPDE4C
SCHEMBL8959442 0.90 CYP3A4 (0.32) CYP3A4CYP2C9FPR2APPFASN
SCHEMBL8959525 0.89 GABRA1 (0.36) CYP3A4CYP2C9FPR2FASN
SCHEMBL13000513 0.89 CYP3A4 (0.30) CYP3A4CYP2C9
SCHEMBL13000785 0.89 CYP3A4 (0.34) CYP3A4CYP2C9FPR2APPFASN
SCHEMBL8933815 0.88 KDM1A (0.37) CYP3A4CYP2C9FPR2APPFASN
SCHEMBL8959543 0.88 CNR2 (0.33) CYP3A4CYP2C9FASNPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 CYP3A4 1445/4885CYP2C9 2391/4885FPR2 1427/4885

“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.