SCHEMBL8932686

SCHEMBL8932686

CCCC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OCC)c(F)c5F)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
FASN P49327 1/20 0.34
FPR2 P25090 4/20 0.34
APP P05067 2/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
NAAA Q02083 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE5A O76074 1/20 0.31
HDAC1 Q13547 1/20 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
SCHEMBL8932591 0.97 KDM1A (0.40) KDM1ACYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL8958688 0.94 FPR2 (0.35) KDM1ACYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL8958831 0.93 KDM1A (0.36) KDM1ACYP2C9CYP3A4MAPTFASN
SCHEMBL8958633 0.93 PPARD (0.34) KDM1ACYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL8959038 0.92 KDM1A (0.35) KDM1ACYP2C9CYP3A4MAPTFASN
SCHEMBL8958787 0.92 PPARD (0.34) KDM1ACYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL8958723 0.92 FPR2 (0.36) KDM1ACYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL8958769 0.91 RARB (0.34) KDM1ACYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL8958789 0.91 RARB (0.34) KDM1ACYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL8958690 0.91 RARB (0.34) KDM1ACYP2C9CYP3A4ALDH1A1LMNA

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
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP 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-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
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 2117/4885CYP2C9 2391/4885CYP3A4 1445/4885

“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.