SCHEMBL4508784

SCHEMBL4508784

CC1(N2CCC(Cc3ccc(C=CC(=O)O)cc3Cl)C2=O)CCC(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
PTPN11 Q06124 7/20 0.37
POLB P06746 2/20 0.36
NR0B2 Q15466 3/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 3/20 0.35
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 2/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
ESR2 Q92731 1/20 0.34
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 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
SCHEMBL2988985 0.83 P2RX7 (0.40)
SCHEMBL4522841 0.80 PTPN11 (0.39) L3MBTL1PTPN11POLBNR0B2ALDH1A1
SCHEMBL4522833 0.80 PTPN11 (0.39) L3MBTL1PTPN11POLBNR0B2ALDH1A1
SCHEMBL4519361 0.76 HSD11B1 (0.49) L3MBTL1PTPN11POLBNR0B2ALDH1A1
SCHEMBL4519356 0.76 HSD11B1 (0.49) L3MBTL1PTPN11POLBNR0B2ALDH1A1
SCHEMBL4508927 0.75 NR1H2 (0.35)
SCHEMBL4508780 0.74 HSD11B1 (0.37) L3MBTL1PTPN11POLBNR0B2ALDH1A1
SCHEMBL4513747 0.73 MMP13 (0.38)
SCHEMBL13674562 0.72 KDM4E (0.36) ALDH1A1
SCHEMBL2994583 0.71 P2RX7 (0.36) L3MBTL1ALDH1A1KMT2A

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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 L3MBTL1 3517/4885PTPN11 1035/4885POLB 2628/4885

“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.