SCHEMBL11933484

SCHEMBL11933484

CCCc1ccc(OC(=O)c2ccc(C3CCC(c4ccc(C)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
FFAR4 Q5NUL3 1/20 0.32
NOTUM Q6P988 1/20 0.31
RXRG P48443 2/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
HTT P42858 1/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
PDE10A Q9Y233 1/20 0.30
LTC4S Q16873 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 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
SCHEMBL11933519 1.00 HPGD (0.33) HPGDFFAR4NOTUMRXRGRXRA
SCHEMBL15381552 0.91 FFAR4 (0.33) FFAR4HTTCTSLCTSSCTSK
SCHEMBL15381618 0.91 FFAR4 (0.33) FFAR4HTTCTSLCTSSCTSK
SCHEMBL11933485 0.87 HPGD (0.35) HPGDNOTUMRXRGRXRARXRB
SCHEMBL11933520 0.87 HPGD (0.35) HPGDNOTUMRXRGRXRARXRB
SCHEMBL11933521 0.86 SCN9A (0.34) HPGDNOTUMRXRGRXRARXRB
SCHEMBL11933486 0.86 SCN9A (0.34) HPGDNOTUMRXRGRXRARXRB
SCHEMBL11939293 0.86
SCHEMBL11939382 0.86
SCHEMBL11933540 0.86 CTSL (0.31) CTSLCTSSCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 HPGD 3893/4885FFAR4 1038/4885NOTUM 3864/4885

“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.