SCHEMBL13025992

SCHEMBL13025992

CCCC1CCC(CCc2ccc(-c3ccc(-c4ccc(OCC)cc4)c(C(F)F)c3F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
NLRP3 Q96P20 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
FFAR4 Q5NUL3 7/20 0.34
ACACB O00763 2/20 0.34
FFAR1 O14842 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CACNA2D1 P54289 1/20 0.33
KCNH2 Q12809 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL13025726 0.88 FFAR4 (0.41) RAB9ANPC1CASP3SENP8NLRP3
SCHEMBL13025811 0.88 NPC1 (0.37) RAB9ANPC1CASP3SENP8NLRP3
SCHEMBL13025951 0.87 FFAR4 (0.40) FFAR4
SCHEMBL13025958 0.85 FFAR4 (0.39) FFAR4
SCHEMBL13025988 0.85 NPC1 (0.35) RAB9ANPC1CASP3SENP8NLRP3
SCHEMBL13025777 0.85 FFAR1 (0.39) RAB9ANPC1FFAR4ACACBFFAR1
SCHEMBL13066972 0.83 MAOB (0.33) FFAR4
SCHEMBL12834325 0.83 NPC1 (0.38) RAB9ANPC1CASP3SENP8NLRP3
SCHEMBL12834178 0.83 ACACB (0.34) FFAR4ACACBFFAR1MEN1KMT2A
SCHEMBL13026013 0.82 MAOB (0.33)

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-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 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-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 RAB9A 2262/4885NPC1 3260/4885CASP3 2175/4885

“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.