SCHEMBL13101855

SCHEMBL13101855

CCC(CC)N1CCC(O)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.43
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
DPP4 P27487 2/20 0.36
GPR119 Q8TDV5 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL13612891 0.86 DPP4 (0.41) SHBGKDM4EALDH1A1TDP1DPP4
SCHEMBL14145832 0.86 DPP4 (0.41) SHBGKDM4EALDH1A1TDP1DPP4
SCHEMBL12377378 0.86 DPP4 (0.41) SHBGKDM4EALDH1A1TDP1DPP4
SCHEMBL20247967 0.82 SHBG (0.35) SHBGALDH1A1DPP4GPR119HRH3
SCHEMBL23219669 0.81 SPHK1 (0.41)
SCHEMBL23467566 0.79 SHBG (0.41) SHBGKDM4EDPP4GPR119HRH3
SCHEMBL23114309 0.79 SHBG (0.41) SHBGKDM4EDPP4GPR119HRH3
SCHEMBL6628149 0.79 SHBG (0.41) SHBGKDM4EDPP4GPR119HRH3
SCHEMBL8285967 0.78 PHGDH (0.37) KDM4EALDH1A1TDP1HRH3TP53
SCHEMBL19388485 0.77 SPHK1 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267719-A1 Enhanced Indolinone Based Protein Kinase Inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2010-10-21 US disclosed
US-7629339-B2 inhibitors of protein kinases and are useful in treating cancer; 4-({5-[5-Fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl}-amino)-3-methoxy-butyric acid; anticarcinogenic agent THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-08 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-20100267719-A1 Enhanced Indolinone Based Protein Kinase Inhibitors PHKG1, PHKG2, PRKCH SHBG 4766/4885KDM4E 1481/4885ALDH1A1 1494/4885

“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.