SCHEMBL4870437

SCHEMBL4870437

CCCCCCCCCc1ccc(-c2ccc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.41
S1PR1 P21453 7/20 0.40
SPHK2 Q9NRA0 3/20 0.37
FAAH O00519 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36
TNNC1 P63316 5/20 0.35
S1PR4 O95977 3/20 0.35
S1PR5 Q9H228 3/20 0.35
S1PR3 Q99500 2/20 0.35
SGPL1 O95470 1/20 0.35
GPR183 P32249 1/20 0.35
CERS2 Q96G23 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4871535 0.91 MEN1 (0.46) RARBS1PR1SPHK2FAAHS1PR4
SCHEMBL4862292 0.89 RARB (0.38) RARBS1PR1ALDH1A1CYP3A4
SCHEMBL4862352 0.89 RARB (0.38) RARBS1PR1ALDH1A1CYP3A4
SCHEMBL4870576 0.88 RARB (0.39) RARBS1PR1ALDH1A1CYP3A4
SCHEMBL4871834 0.88 RARB (0.39) RARBS1PR1ALDH1A1CYP3A4
SCHEMBL9495429 0.87 RARB (0.51) RARBS1PR1FAAHMEN1USP2
SCHEMBL17897418 0.87 RARB (0.51) RARBS1PR1FAAHMEN1USP2
SCHEMBL9475235 0.87 RARB (0.51) RARBS1PR1FAAHMEN1USP2
SCHEMBL9493510 0.87 RARB (0.51) RARBS1PR1FAAHMEN1USP2
SCHEMBL9486838 0.87 RARB (0.51) RARBS1PR1FAAHMEN1USP2

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-7351452-B2 Liquid crystalline compounds containing a biphenyl core QINETIQ LIMITED (GB) 2008-04-01 US disclosed
US-20050001200-A1 Liquid crystalline compounds containing a biphenyl core QINETIQ LIMITED (GB) 2005-01-06 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-20050001200-A1 Liquid crystalline compounds containing a biphenyl core YBX1, AFF1, AFF2 RARB 1075/4885S1PR1 3203/4885SPHK2 2883/4885

“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.