SCHEMBL8932587

SCHEMBL8932587

CCCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 2/20 0.34
RARB P10826 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
FASN P49327 1/20 0.34
FPR2 P25090 2/20 0.33
APP P05067 2/20 0.32
CYP2C8 P10632 1/20 0.32
S1PR3 Q99500 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
NAAA Q02083 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8932589 0.99 KDM1A (0.38) KDM1ACYP3A4CYP2C9RARBGAA
SCHEMBL8959038 0.97 KDM1A (0.35) KDM1ACYP3A4CYP2C9RARBGAA
SCHEMBL8958831 0.96 KDM1A (0.36) KDM1ACYP3A4CYP2C9RARBGAA
SCHEMBL8933352 0.95 RARB (0.35) KDM1ACYP3A4CYP2C9RARBGAA
SCHEMBL8933198 0.95 PPARD (0.35) KDM1ACYP3A4CYP2C9RARBGAA
SCHEMBL8933280 0.95 RARB (0.35) KDM1ACYP3A4CYP2C9RARBGAA
SCHEMBL8933388 0.95 RARB (0.35) KDM1ACYP3A4CYP2C9RARBGAA
SCHEMBL8933091 0.95 RARB (0.35) KDM1ACYP3A4CYP2C9RARBGAA
SCHEMBL8933281 0.95 RARB (0.35) KDM1ACYP3A4CYP2C9RARBGAA
SCHEMBL8933282 0.95 RARB (0.35) KDM1ACYP3A4CYP2C9RARBGAA

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 4 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-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
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP 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.