SCHEMBL8959245

SCHEMBL8959245

C=CC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OC)c(F)c5F)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 2/20 0.33
APP P05067 2/20 0.33
FPR2 P25090 2/20 0.33
FFAR2 O15552 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
FASN P49327 1/20 0.31
S1PR1 P21453 1/20 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
ALOX5 P09917 1/20 0.31
GABRA1 P14867 1/20 0.31
CNR2 P34972 1/20 0.31
GABRB2 P47870 1/20 0.31
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
SCHEMBL8933316 0.97 KDM1A (0.35) KDM1ACYP3A4CYP2C9APPFPR2
SCHEMBL8959257 0.90 KDM1A (0.37) KDM1ACYP3A4CYP2C9APPFPR2
SCHEMBL4549764 0.89 S1PR1 (0.37) KDM1ACYP3A4CYP2C9APPFPR2
SCHEMBL13000524 0.89 CYP3A4 (0.32) CYP3A4CYP2C9APPCYP2D6CYP2C19
SCHEMBL8959329 0.88 CYP3A4 (0.33) KDM1ACYP3A4CYP2C9APPFPR2
SCHEMBL8959304 0.88 HTR2C (0.34) CYP3A4CYP2C9APPFASNPDE4A
SCHEMBL8959519 0.87 CYP3A4 (0.33) KDM1ACYP3A4CYP2C9APPFPR2
SCHEMBL8959265 0.87 GABRA1 (0.38) KDM1ACYP3A4CYP2C9APPFPR2
SCHEMBL15256090 0.87 CYP3A4 (0.42) KDM1ACYP3A4CYP2C9APPFPR2
SCHEMBL12999661 0.87 FASN (0.40) KDM1ACYP3A4CYP2C9APPFPR2

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 KDM1A 2117/4885CYP3A4 1445/4885CYP2C9 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.