SCHEMBL7179596

SCHEMBL7179596

CCCc1ccc(CCc2ccc(I)c(F)c2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
S1PR1 P21453 1/20 0.34
NR3C2 P08235 1/20 0.34
ALOX5 P09917 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LPL P06858 1/20 0.31
LIPG Q9Y5X9 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
SCHEMBL5167580 0.90 CNR1 (0.41) CNR1CNR2NPC1TP53PKM
SCHEMBL14634131 0.89 CNR1 (0.44) CNR1CNR2ALOX5NPC1TP53
SCHEMBL9664336 0.83 ALOX5 (0.41) CNR1CNR2HTR2AHTR2CALOX5
SCHEMBL27882299 0.79 SKP2 (0.46) HTR2AHTR2CNPC1TP53RAB9A
SCHEMBL9664848 0.79 TAAR1 (0.40) CNR1CNR2HTR2AHTR2CALOX5
SCHEMBL8990636 0.79 MAOB (0.47) HTR2AHTR2CNR3C2ALOX5NPC1
SCHEMBL7178106 0.79 TAAR1 (0.51) HTR2AHTR2CNR3C2
SCHEMBL15495007 0.78 CNR1 (0.44) CNR1CNR2S1PR1ALOX5NPC1
SCHEMBL13002672 0.78 DAO (0.41) CNR1CNR2HTR2AHTR2CS1PR1
SCHEMBL9664166 0.78 RARB (0.46) HTR2AS1PR1ALOX5HSD17B10

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-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
EP-0934919-A1 SUBSTITUTED BENZENE DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-08-11 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 1925/4885HTR2A 3146/4885

“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.