SCHEMBL13409658

SCHEMBL13409658

C/C(=C/C=O)CC[C@H]1CC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
PTPN1 P18031 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
SCHEMBL18338904 1.00 ALDH1A1 (0.42) ALDH1A1PTPN1
SCHEMBL13409665 1.00 ALDH1A1 (0.42) ALDH1A1PTPN1
SCHEMBL13409660 1.00 ALDH1A1 (0.42) ALDH1A1PTPN1
SCHEMBL18338905 1.00 ALDH1A1 (0.42) ALDH1A1PTPN1
SCHEMBL13409670 1.00 ALDH1A1 (0.42) ALDH1A1PTPN1
SCHEMBL9209297 0.79 MEN1 (0.35) ALDH1A1PTPN1
SCHEMBL2987624 0.74 MEN1 (0.42) ALDH1A1PTPN1
SCHEMBL13949345 0.74 MEN1 (0.42) ALDH1A1PTPN1
SCHEMBL2987618 0.74 MEN1 (0.42) ALDH1A1PTPN1
SCHEMBL13949348 0.74 MEN1 (0.42) ALDH1A1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704941-B2 Citral derivatives FLEXITRAL, INC. (US) 2010-04-27 US disclosed
US-7704941-B2 Citral derivatives FLEXITRAL, INC. (US) 2010-04-27 US disclosed
US-20080015136-A1 CITRAL DERIVATIVES FLEXITRAL, INC. (US) 2008-01-17 US disclosed
US-20080015136-A1 CITRAL DERIVATIVES FLEXITRAL, INC. (US) 2008-01-17 US disclosed
US-7309795-B2 Citral derivatives FLEXITRAL, INC. 2007-12-18 US disclosed
US-7309795-B2 Citral derivatives FLEXITRAL, INC. 2007-12-18 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-20080015136-A1 CITRAL DERIVATIVES TAS2R5, TAS2R7, TAS2R8 ALDH1A1 234/4885PTPN1 4551/4885

“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.