SCHEMBL10067978

SCHEMBL10067978

NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.48
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
EPHX2 P34913 7/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
P2RX7 Q99572 3/20 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
SCHEMBL10067540 1.00 CCKBR (0.48) CCKBRALDH1A1TSHREPHX2DPP4
SCHEMBL10067541 1.00 CCKBR (0.48) CCKBRALDH1A1TSHREPHX2DPP4
SCHEMBL12580236 0.85 CCKBR (0.48) CCKBRALDH1A1TSHREPHX2HSD17B10
SCHEMBL2247338 0.76 CCKBR (0.57) CCKBRP2RX7
SCHEMBL2248673 0.76 CCKBR (0.59) CCKBRALDH1A1P2RX7
SCHEMBL29384215 0.75 PTGS1 (0.55) ALDH1A1DPP4DPP8DPP9LMNA
SCHEMBL173099 0.75 PTGS1 (0.55) ALDH1A1DPP4DPP8DPP9LMNA
SCHEMBL2248788 0.74 CCKBR (0.56) CCKBRALDH1A1P2RX7
SCHEMBL13123884 0.74 CPB2 (0.45) EPHX2DPP4DPP8DPP9HSD17B10
SCHEMBL32670710 0.74 PTGS1 (0.54) ALDH1A1DPP4DPP8DPP9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049903-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-02-23 US disclosed
US-8092833-B2 Compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-01-10 US disclosed
US-20110182864-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-07-28 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 (2 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-20110182864-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES EXOSC5, EXOSC9, INTS6 CCKBR 2584/4885ALDH1A1 2996/4885TSHR 4519/4885
US-20170049903-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 CCKBR 2581/4885ALDH1A1 3199/4885TSHR 4564/4885

“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.