SCHEMBL9945972

SCHEMBL9945972

CC(C)Oc1c(C(C)C)ccc(C=O)c1Br

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.37
TYR P14679 1/20 0.34
ERN1 O75460 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
LMNA P02545 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
SCHEMBL12440950 0.81 ALDH1A3 (0.38) ALDH1A3TYRERN1CYP1A2MAPT
SCHEMBL13429930 0.80 ALDH1A3 (0.37) ALDH1A3TYRERN1CYP1A2MAPT
SCHEMBL16687422 0.79 ALDH1A3 (0.36) ALDH1A3TYRERN1
SCHEMBL12514805 0.79 ALDH1A3 (0.36) ALDH1A3TYRERN1LMNA
SCHEMBL27775328 0.76 CA1 (0.43) ALDH1A3ERN1CYP1A2MAPTCYP2C9
SCHEMBL16098198 0.70 MAPT (0.42) ERN1MAPTCYP2C9CYP2C19LMNA
SCHEMBL38651684 0.70 ALDH1A3 (0.37) ALDH1A3TYRERN1CYP1A2MAPT
SCHEMBL8940219 0.69 ERN1 (0.43) ALDH1A3ERN1CYP1A2MAPTCYP2C9
SCHEMBL22011034 0.69 CA1 (0.43) ALDH1A3ERN1CYP1A2MAPTCYP2C9
SCHEMBL9946014 0.68 ALDH1A3 (0.42) ALDH1A3TYRERN1

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.