SCHEMBL4869927

SCHEMBL4869927

CCCCCCCCOc1ccc(-c2ccc(-c3ccc(O)c(F)c3F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.54
RARB P10826 3/20 0.52
LTA4H P09960 2/20 0.48
PTPN11 Q06124 2/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MCL1 Q07820 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
PLA2G4B P0C869 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
CNR2 P34972 2/20 0.43
HTR1B P28222 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL4866016 0.99 NR5A1 (0.55) NR5A1RARBLTA4HPTPN11TP53
SCHEMBL9405815 0.99 NR5A1 (0.55) NR5A1RARBLTA4HPTPN11TP53
SCHEMBL8992927 0.99 NR5A1 (0.55) NR5A1RARBLTA4HPTPN11TP53
SCHEMBL9419290 0.97 NR5A1 (0.53) NR5A1RARBLTA4HPTPN11TP53
SCHEMBL1575262 0.94 MCL1 (0.49) NR5A1RARBLTA4HPTPN11MCL1
SCHEMBL9563786 0.91 RARB (0.56) NR5A1RARBLTA4HPTPN11TP53
SCHEMBL9563837 0.91 RARB (0.56) NR5A1RARBLTA4HPTPN11TP53
SCHEMBL9563731 0.91 RARB (0.56) NR5A1RARBLTA4HPTPN11TP53
SCHEMBL9563687 0.91 RARB (0.56) NR5A1RARBLTA4HPTPN11TP53
SCHEMBL9563794 0.91 RARB (0.56) NR5A1RARBLTA4HPTPN11TP53

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-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
US-6737124-B2 ESPECIALLY DISILANES DISPLAYTECH, INC. 2004-05-18 US disclosed
US-20030003245-A1 Liquid crystal compounds having a silane tail with a perfluoroalkyl terminal portion CITIZEN FINETECH MIYOTA CO., LTD. (JP) 2003-01-02 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 (2 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-20030003245-A1 Liquid crystal compounds having a silane tail with a perfluoroalkyl terminal portion FFAR3, FFAR1, LPAR1 NR5A1 379/4885RARB 1133/4885LTA4H 1475/4885
US-20050001200-A1 Liquid crystalline compounds containing a biphenyl core YBX1, AFF1, AFF2 NR5A1 676/4885RARB 1075/4885LTA4H 3349/4885

“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.