SCHEMBL4871535

SCHEMBL4871535

CCCCCCCCCc1ccc(-c2ccc(-c3ccc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)c(F)c2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
RARB P10826 2/20 0.42
S1PR1 P21453 10/20 0.40
S1PR3 Q99500 8/20 0.40
S1PR4 O95977 6/20 0.40
S1PR5 Q9H228 5/20 0.40
PTPN11 Q06124 1/20 0.39
SPHK2 Q9NRA0 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL4866961 0.93 NR5A1 (0.41) ALDH1A1CYP3A4RARBPTPN11
SCHEMBL4861274 0.91 CNR2 (0.40) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL4870437 0.91 RARB (0.41) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL4862352 0.88 RARB (0.38) ALDH1A1CYP3A4RARBS1PR1PTPN11
SCHEMBL4862292 0.88 RARB (0.38) ALDH1A1CYP3A4RARBS1PR1PTPN11
SCHEMBL4871834 0.87 RARB (0.39) ALDH1A1CYP3A4RARBS1PR1PTPN11
SCHEMBL4870576 0.87 RARB (0.39) ALDH1A1CYP3A4RARBS1PR1PTPN11
SCHEMBL9497822 0.86 MEN1 (0.58) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9497102 0.86 MEN1 (0.58) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9493011 0.86 MEN1 (0.58) MEN1USP2ALDH1A1LMNACYP3A4

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 MEN1 2580/4885USP2 2074/4885ALDH1A1 2051/4885

“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.