SCHEMBL17207385

SCHEMBL17207385

CCC1(c2ccccc2)CCCCC1n1cncn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 1/20 0.34
SLC18A3 Q16572 2/20 0.33
CYP19A1 P11511 1/20 0.32
SLC6A9 P48067 1/20 0.32
OPRM1 P35372 1/20 0.32
GLA P06280 1/20 0.31
CYP17A1 P05093 1/20 0.31

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
SCHEMBL17207439 0.99 ACHE (0.34) ACHEGAAHSD17B10SLC6A2SLC6A4
SCHEMBL17207377 0.96 ACHE (0.35) ACHEGAAHSD17B10SLC18A3CYP19A1
SCHEMBL17207394 0.90 ACHE (0.33) ACHEGAAHSD17B10SLC6A2SLC6A4
SCHEMBL17207427 0.89 GAA (0.33) ACHEGAAHSD17B10SLC6A2SLC6A4
SCHEMBL17207376 0.86 ACHE (0.34) ACHEGAAHSD17B10CYP19A1CYP17A1
SCHEMBL17207398 0.81 ACHE (0.37) ACHEGAAHSD17B10SLC6A2SLC6A4
SCHEMBL17207371 0.80 SLC6A4 (0.39) ACHEGAAHSD17B10SLC6A2SLC6A4
SCHEMBL17207445 0.80 ACHE (0.36) ACHEGAAHSD17B10SLC6A2SLC6A4
SCHEMBL15834041 0.79 SLC6A9 (0.43) SLC18A3SLC6A9OPRM1
SCHEMBL17207431 0.79 SLC6A4 (0.39) ACHEGAAHSD17B10SLC6A2SLC6A4

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-20150307460-A1 Substituted Triazoles and Imidazoles and Their Use as Fungicides BASF SE (DE) 2015-10-29 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-20150307460-A1 Substituted Triazoles and Imidazoles and Their Use as Fungicides TH, CYP51A1, NOS3 ACHE 2655/4885GAA 1136/4885HSD17B10 3328/4885

“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.