SCHEMBL13025903

SCHEMBL13025903

CCCc1ccc(-c2ccc(CCc3ccc(C)c(C(F)F)c3F)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCL1 Q07820 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
ALOX5 P09917 1/20 0.30
MAPT P10636 1/20 0.30
GFER P55789 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
SCHEMBL13025923 0.92 RARB (0.36) MAPT
SCHEMBL12834366 0.84 PTGS1 (0.33) PTGS1PTGS2LPLLIPG
SCHEMBL13026020 0.83 RARB (0.41) PTGS1PTGS2MAPT
SCHEMBL13025689 0.82 MPL (0.35) NPC1RAB9ANISCHLPLLIPG
SCHEMBL13025918 0.82 ACACB (0.31) ACACBACACA
SCHEMBL12834586 0.81 MPL (0.34) NPC1RAB9ANISCHLPLLIPG
SCHEMBL13025917 0.81 S1PR1 (0.40) HTTSMN1; SMN2MAPT
SCHEMBL9406155 0.80 ALOX5 (0.40) NPC1RAB9AHTTSMN1; SMN2MCL1
SCHEMBL12834181 0.79 FFAR4 (0.33) NPC1RAB9AALOX5
SCHEMBL13025906 0.79 FFAR4 (0.38) ACACBACACA

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 4 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-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 NPC1 3260/4885RAB9A 2262/4885HTT 1952/4885

“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.