SCHEMBL8436378

SCHEMBL8436378

Cc1ccc(C2CC2CC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.56
HTR2A P28223 1/20 0.56
HTR2B P41595 1/20 0.56
FFAR1 O14842 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ITGB3 P05106 3/20 0.45
ITGAV P06756 3/20 0.45
ITGB6 P18564 2/20 0.45
ITGB1 P05556 2/20 0.44
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HTT P42858 1/20 0.40
ITGB5 P18084 1/20 0.40
HSD11B1 P28845 1/20 0.40
SLC6A12 P48065 2/20 0.39

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
SCHEMBL6251811 0.84 ITGB3 (0.45) HTR2CHTR2AHTR2BITGB3ITGAV
SCHEMBL15271011 0.82 HTR2C (0.58) HTR2CHTR2AHTR2BITGB3ITGAV
SCHEMBL2435013 0.81 HTR2C (0.59) HTR2CFFAR1ITGB3ITGAVITGB6
SCHEMBL22169320 0.80 ITGB3 (0.45) HTR2CHTR2AHTR2BITGB3ITGAV
SCHEMBL21847837 0.80 ITGB3 (0.45) HTR2CHTR2AHTR2BITGB3ITGAV
SCHEMBL27404054 0.78 ITGB3 (0.42) HTR2CHTR2AHTR2BITGB3ITGAV
SCHEMBL27404045 0.78 HTR2C (0.59) HTR2CHTR2AHTR2BITGB3ITGAV
SCHEMBL11965119 0.77 HTR2C (0.63) HTR2CHTR2AHTR2BFFAR1ALDH1A1
SCHEMBL11902887 0.77 HTR2C (0.63) HTR2CHTR2AHTR2BFFAR1ALDH1A1
SCHEMBL27404050 0.77 ITGB3 (0.47) HTR2CITGB3ITGAVITGB6ITGB1

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-20040138104-A1 Peptides THE GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, 2004-07-15 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-20040138104-A1 Peptides PTMS, VIP, CPB1 HTR2C 2164/4885HTR2A 1473/4885HTR2B 722/4885

“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.