SCHEMBL21157749

SCHEMBL21157749

CC(C)CCCOc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.60
LTA4H P09960 4/20 0.53
NR5A1 Q13285 1/20 0.53
MGAM O43451 2/20 0.50
GAA P10253 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 1/20 0.47
ESR2 Q92731 1/20 0.47
EPHX2 P34913 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ESR1 P03372 1/20 0.42
GPR88 Q9GZN0 1/20 0.42

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
SCHEMBL8984370 0.94 LTA4H (0.58) RARBLTA4HNR5A1MGAMGAA
SCHEMBL20603875 0.87 NR5A1 (0.65) RARBLTA4HNR5A1MGAMGAA
1-Hydroxy-4-Isopentoxybenzene SCHEMBL2843554 0.85 TDP1 (0.66) RARBLTA4HNR5A1MGAMGAA
SCHEMBL13251245 0.84 RARB (0.62) RARBTDP1MAPK1GPR88
SCHEMBL2050248 0.83 ALOX5 (0.55) RARBLTA4HNR5A1MGAMGAA
SCHEMBL7334158 0.82 RARB (0.56) RARBTDP1MAPK1EPHX2DRD2
SCHEMBL10614087 0.81 NR5A1 (0.66) RARBLTA4HNR5A1ESR2CYP3A4
SCHEMBL428018 0.81 LTA4H (0.78) RARBLTA4HNR5A1ESR2CYP3A4
SCHEMBL21156855 0.79 MMP2 (0.54) RARB
SCHEMBL6939838 0.79 LTA4H (0.58) LTA4HNR5A1TDP1ESR2DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 RARB 3457/4885LTA4H 733/4885NR5A1 2069/4885

“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.