SCHEMBL13844796

SCHEMBL13844796

CCCOC(=O)CN1C(=O)CCCN1CCC(C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 8/20 0.39
PTGER4 P35408 7/20 0.39
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.35
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
LMNA P02545 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL13844684 0.79 PTGER2 (0.41) PTGER2PTGER4TSHRLMNACA12
SCHEMBL13844744 0.76 PTGER2 (0.47) PTGER2PTGER4
SCHEMBL27697645 0.74 PTGER2 (0.40) PTGER2PTGER4TSHRLMNACA12
SCHEMBL13844750 0.74 PTGER2 (0.38) PTGER2PTGER4TSHRLMNACA12
SCHEMBL13844748 0.72 PTGER4 (0.43) PTGER2PTGER4PIK3CD
SCHEMBL13844763 0.71 ALDH1A1 (0.43) PTGER2PTGER4ALDH1A1L3MBTL1TSHR
SCHEMBL13844743 0.71 PTGER2 (0.39) PTGER2PTGER4TSHRLMNACA12
SCHEMBL13844792 0.71 PTGER2 (0.51) PTGER2PTGER4
Methylpyrrolidone SCHEMBL28322963 0.70 BRD4 (0.50) PTGER2PTGER4ALDH1A1L3MBTL1TSHR
SCHEMBL13844701 0.68 POLB (0.46) PTGER2PTGER4ALDH1A1L3MBTL1LMNA

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-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 PTGER2 39/4885PTGER4 33/4885ALDH1A1 1638/4885

“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.