SCHEMBL9946014

SCHEMBL9946014

CC(C)Oc1c(C=O)cc(C=O)cc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.42
TYR P14679 2/20 0.33
ERN1 O75460 1/20 0.32
SRC P12931 2/20 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
SCHEMBL16687428 0.78 ALDH1A3 (0.41) ALDH1A3TYRERN1SRC
SCHEMBL5370178 0.76 ALDH1A1 (0.39) ALDH1A3TYRSRC
SCHEMBL27775328 0.74 CA1 (0.43) ALDH1A3ERN1SRC
SCHEMBL9945910 0.73 TYR (0.36) TYR
SCHEMBL2006167 0.72 SRC (0.52) ALDH1A3TYRSRC
SCHEMBL7842559 0.72 ALDH1A3 (0.48) ALDH1A3TYRERN1SRC
SCHEMBL14477422 0.71 TYR (0.35) ALDH1A3TYRSRC
SCHEMBL2489643 0.71 ALDH1A3 (0.47) ALDH1A3TYRSRC
SCHEMBL9270934 0.70 FNTA (0.42) TYRSRC
SCHEMBL5882232 0.70 ALDH1A3 (0.52) ALDH1A3TYR

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ALDH1A3 2559/4885TYR 2328/4885ERN1 2855/4885

“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.