SCHEMBL8727734

SCHEMBL8727734

CCCCCCOc1ccc(C(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.61
HRH3 Q9Y5N1 2/20 0.58
LTA4H P09960 3/20 0.55
TP53 P04637 2/20 0.54
TSHR P16473 1/20 0.54
PLA2G4B P0C869 1/20 0.53
KDM4E B2RXH2 1/20 0.51
RARB P10826 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL12762363 1.00 NR5A1 (0.61) NR5A1HRH3LTA4HTP53TSHR
SCHEMBL12251286 1.00 NR5A1 (0.61) NR5A1HRH3LTA4HTP53TSHR
SCHEMBL23266158 1.00 NR5A1 (0.61) NR5A1HRH3LTA4HTP53TSHR
SCHEMBL13216578 1.00 NR5A1 (0.61) NR5A1HRH3LTA4HTP53TSHR
SCHEMBL7855901 0.98 NR5A1 (0.58) NR5A1HRH3LTA4HTP53TSHR
SCHEMBL25557802 0.95 RARB (0.58) NR5A1HRH3LTA4HTP53TSHR
SCHEMBL9593021 0.94 HRH3 (0.57) NR5A1HRH3LTA4HTP53TSHR
SCHEMBL17830938 0.93 CYP2D6 (0.56) NR5A1HRH3LTA4HTP53TSHR
SCHEMBL678078 0.93 CYP2D6 (0.56) NR5A1HRH3LTA4HTP53TSHR
SCHEMBL22248703 0.92 HRH3 (0.65) NR5A1HRH3TP53KDM4ENPC1

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-8716491-B2 Benzimidazolium dyes and their use as fluorescent chemosensors NEW YORK UNIVERSITY (US) 2014-05-06 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080160521-A1 BENZIMIDAZOLIUM DYES AND THEIR USE AS FLUORESCENT CHEMOSENSORS NEW YORK UNIVERSITY (US) 2008-07-03 US disclosed
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 NR5A1 977/4885HRH3 4/4885LTA4H 2509/4885
US-20080160521-A1 BENZIMIDAZOLIUM DYES AND THEIR USE AS FLUORESCENT CHEMOSENSORS IK, C9, CBR3 NR5A1 3643/4885HRH3 21/4885LTA4H 521/4885

“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.