SCHEMBL8940110

SCHEMBL8940110

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2)OC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
FPR2 P25090 3/20 0.34
NAAA Q02083 1/20 0.31
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 0.30
FGFR2 P21802 2/20 0.30
FGFR1 P11362 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
SCHEMBL8940058 0.94 GABRA1 (0.37) KDM1AFPR2GABRA1GABRB2
SCHEMBL8940077 0.93 CNR2 (0.34) KDM1AFPR2GABRA1GABRB2
SCHEMBL8940198 0.93 HTR2C (0.33)
SCHEMBL18718585 0.93 KDM1A (0.39) KDM1AFPR2
SCHEMBL8940145 0.93 GABRA1 (0.34) KDM1AFPR2GABRA1GABRB2
SCHEMBL8940149 0.92 GABRA1 (0.34) KDM1AFPR2GABRA1GABRB2
SCHEMBL8940202 0.92 GABRA1 (0.34) KDM1AFPR2GABRA1GABRB2
SCHEMBL8940357 0.92 GABRA1 (0.34) KDM1AFPR2GABRA1GABRB2
SCHEMBL8940087 0.92 GABRA1 (0.34) KDM1AFPR2GABRA1GABRB2
SCHEMBL13000131 0.92 FPR2 (0.31) KDM1AFPR2

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 2117/4885FPR2 1427/4885NAAA 4128/4885

“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.