SCHEMBL1371685

SCHEMBL1371685

CC(C)(C)C1CCC(S)(CC(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.36
LIPA P38571 1/20 0.34
OPRL1 P41146 3/20 0.33
EPHX1 P07099 1/20 0.33
GAA P10253 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX12 P18054 1/20 0.32
GLA P06280 1/20 0.32
HSD11B1 P28845 1/20 0.32
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
CYP2D6 P10635 2/20 0.30
ALOX15 P16050 1/20 0.30
GCGR P47871 1/20 0.30
KCNH2 Q12809 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
SCHEMBL9261087 0.81 CYP1A2 (0.46) CYP1A2LIPAEPHX1GAAALDH1A1
SCHEMBL27664330 0.79 CYP1A2 (0.37) CYP1A2LIPAOPRL1EPHX1GAA
SCHEMBL13593731 0.79 CYP1A2 (0.37) CYP1A2LIPAOPRL1EPHX1GAA
SCHEMBL1373213 0.79 CYP1A2 (0.47) CYP1A2ALDH1A1CYP2C19KDM4ELMNA
SCHEMBL26454 0.75 ALDH1A1 (0.55) CYP1A2LIPAEPHX1GAAALDH1A1
SCHEMBL15919215 0.75
SCHEMBL13423979 0.74 CYP1A2 (0.40) CYP1A2LIPAEPHX1GAAALDH1A1
SCHEMBL7317737 0.71 CYP2C19 (0.50) CYP1A2ALDH1A1CYP2C19LMNAHSD11B1
SCHEMBL2657478 0.70 EPHX1 (0.37) CYP1A2LIPAOPRL1EPHX1GAA
SCHEMBL5438684 0.69 CYP1A2 (0.47) CYP1A2LIPAALDH1A1LMNA

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-20110288011-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2011-11-24 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-20110288011-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF VIP, SLC1A5, SLC47A1 CYP1A2 4161/4885LIPA 2741/4885OPRL1 1197/4885

“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.