SCHEMBL8932645

SCHEMBL8932645

CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2)OC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
FPR2 P25090 3/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
FASN P49327 1/20 0.31
ESR1 P03372 1/20 0.30
RARB P10826 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
NAAA Q02083 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
SCHEMBL8939896 0.99 KDM1A (0.35) KDM1AFPR2GRIN1GRIN2BFASN
SCHEMBL8939732 0.96 KDM1A (0.32) KDM1AFPR2FASNRARB
SCHEMBL8939715 0.96 KDM1A (0.32) KDM1AFPR2FASN
SCHEMBL8939911 0.95 RARB (0.33) KDM1AFPR2FASNRARB
SCHEMBL8939735 0.95 FPR2 (0.33) KDM1AFPR2FASN
SCHEMBL8939930 0.95 RARB (0.33) KDM1AFPR2FASNRARB
SCHEMBL8939771 0.95 RARB (0.33) KDM1AFPR2FASNRARB
SCHEMBL8939904 0.95 RARB (0.33) KDM1AFPR2FASNRARB
SCHEMBL8939913 0.95 RARB (0.33) KDM1AFPR2FASNRARB
SCHEMBL8939887 0.95 KDM1A (0.32) KDM1AFPR2FASNRARB

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
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

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 2117/4885FPR2 1427/4885GRIN1 3087/4885

“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.