SCHEMBL13722682

SCHEMBL13722682

CC(=O)OC1CC2C(CC(C)C2(C)C)C(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
KMT2A Q03164 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ESR1 P03372 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2457612 0.77 CHRM2 (0.43) TSHRKMT2ACHRM2CHRM4CHRM5
SCHEMBL2457323 0.77 CHRM2 (0.43) TSHRKMT2ACHRM2CHRM4CHRM5
SCHEMBL17056955 0.77 CHRM2 (0.43) TSHRKMT2ACHRM2CHRM4CHRM5
SCHEMBL2457318 0.77 CHRM2 (0.43) TSHRKMT2ACHRM2CHRM4CHRM5
SCHEMBL13723301 0.70 CYP3A4 (0.41) TSHRKMT2AUSP2CYP3A4ALDH1A1
SCHEMBL13723264 0.70 CYP3A4 (0.33) USP2CYP3A4ALDH1A1
SCHEMBL35210215 0.68 ALDH1A1 (0.36) TSHRKMT2ACHRM2CHRM4CHRM5
SCHEMBL11161495 0.67 TSHR (0.37) TSHRCYP3A4ALOX15
SCHEMBL112071 0.67 ALDH1A1 (0.55) TSHRKMT2ACHRM2CHRM4CHRM5
SCHEMBL273013 0.67 ALDH1A1 (0.55) TSHRKMT2ACHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579016-B2 Methods for repelling arthropods using isolongifolenone analogs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2009-08-25 US disclosed
US-20090018192-A1 Methods for Repelling Arthropods Using Isolongifolenone Analogs THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2009-01-15 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-20090018192-A1 Methods for Repelling Arthropods Using Isolongifolenone Analogs NISCH, CYP51A1, OR51E2 TSHR 3759/4885KMT2A 3960/4885CHRM2 4344/4885

“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.