SCHEMBL13064657

SCHEMBL13064657

CCCCCCCOc1ccc(OCC)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.70
NQO1 P15559 1/20 0.64
LTA4H P09960 5/20 0.62
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
TP53 P04637 2/20 0.61
TSHR P16473 1/20 0.61
PLA2G4B P0C869 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RARB P10826 3/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56
RAB9A P51151 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL27553544 1.00 NR5A1 (0.70) NR5A1NQO1LTA4HKDM4EALDH1A1
SCHEMBL10062560 1.00 NR5A1 (0.70) NR5A1NQO1LTA4HKDM4EALDH1A1
SCHEMBL13064200 1.00 NR5A1 (0.70) NR5A1NQO1LTA4HKDM4EALDH1A1
1-Ethoxy-4-Pentoxybenzene SCHEMBL27243485 0.98 NR5A1 (0.67) NR5A1NQO1LTA4HKDM4EALDH1A1
Methyl Alcohol SCHEMBL28166727 0.96 NR5A1 (0.71) NR5A1NQO1LTA4HKDM4EALDH1A1
SCHEMBL10943900 0.93 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL8936597 0.93 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL14984021 0.93 NQO1 (0.74) NR5A1NQO1LTA4HKDM4EALDH1A1
SCHEMBL11095674 0.93 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL2829024 0.93 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B

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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 NR5A1 997/4885NQO1 364/4885LTA4H 2496/4885

“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.