SCHEMBL5167580

SCHEMBL5167580

CCCc1ccc(CCc2ccc(I)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
CA2 P00918 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
MGLL Q99685 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PLK1 P53350 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL14634131 0.96 CNR1 (0.44) CNR1CNR2LPLLIPGCA2
SCHEMBL7179596 0.90 CNR1 (0.37) CNR1CNR2LPLLIPGNPC1
SCHEMBL502461 0.85 RARB (0.47) CNR1CNR2LPLLIPGNPC1
SCHEMBL27882299 0.85 SKP2 (0.46) CA2NPC1RAB9ATP53SMN1; SMN2
SCHEMBL9005448 0.83 HTR2A (0.48) LPLLIPGTP53HSD17B10PTGS1
SCHEMBL27865893 0.81 HTR2A (0.52) LPLLIPGTP53HSD17B10MGLL
SCHEMBL21362383 0.79 TRPA1 (0.41) LPLLIPGNPC1RAB9ATP53
SCHEMBL27642180 0.78 TAAR1 (0.37) TP53HSD17B10GAAPTGS1TAAR1
SCHEMBL20932352 0.77 CNR1 (0.48) CNR1CNR2LPLLIPGCA2
SCHEMBL530305 0.77 CNR1 (0.48) CNR1CNR2LPLLIPGNPC1

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-0949231-B1 FLUORINE-SUBSTITUTED BENZENE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORP (JP) 2007-05-02 EP disclosed
US-6579577-B2 High voltage holding ratio which has a very small degree of temperature dependence, a low threshold voltage CHISSO CORPORATION (JP) 2003-06-17 US disclosed
US-20020166994-A1 Substituted benzene derivative, liquid crystal composition, and liquid crystal display element CHISSO CORPORATION (JP) 2002-11-14 US disclosed
US-6210603-B1 HIGH VOLTAGE HOLDING RATIO, ALTERED ONLY SLIGHTLY BY CHANGE OF TEMPERATURE, AND LOW THRESHOLD VOLTAGE CHISSO CORPORATION (JP) 2001-04-03 US disclosed
EP-0949231-A1 FLUORINE-SUBSTITUTED BENZENE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-10-13 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-20020166994-A1 Substituted benzene derivative, liquid crystal composition, and liquid crystal display element OCIAD2, OCIAD1, POU2F1 CNR1 1937/4885CNR2 1925/4885LPL 3744/4885

“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.