SCHEMBL8959329

SCHEMBL8959329

C/C=C/C1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OC)c(F)c5F)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.33
KDM1A O60341 2/20 0.33
CYP2C9 P11712 2/20 0.33
APP P05067 2/20 0.33
FPR2 P25090 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
FASN P49327 1/20 0.31
FFAR2 O15552 1/20 0.30
TGFBR1 P36897 1/20 0.30
ACVR1 Q04771 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
SCHEMBL8933402 0.97 KDM1A (0.34) CYP3A4KDM1ACYP2C9APPFPR2
SCHEMBL8959330 0.90 KDM1A (0.37) CYP3A4KDM1ACYP2C9APPFPR2
SCHEMBL18085466 0.89 S1PR1 (0.34) CYP3A4KDM1ACYP2C9APPFPR2
SCHEMBL15681310 0.89 S1PR1 (0.34) CYP3A4KDM1ACYP2C9APPFPR2
SCHEMBL8959245 0.88 KDM1A (0.33) CYP3A4KDM1ACYP2C9APPFPR2
SCHEMBL8959331 0.87 FPR2 (0.34) CYP3A4KDM1ACYP2C9APPFPR2
SCHEMBL8959373 0.86 HTR2C (0.33) CYP3A4CYP2C9APPFASN
SCHEMBL8959335 0.86 PDE4A (0.32) CYP3A4KDM1ACYP2C9APPFPR2
SCHEMBL8933414 0.86 KDM1A (0.39) CYP3A4KDM1ACYP2C9APPFPR2
SCHEMBL8959302 0.86 CYP3A4 (0.34) CYP3A4CYP2C9APPCYP2D6CYP2C19

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 1445/4885KDM1A 2117/4885CYP2C9 2391/4885

“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.