SCHEMBL3500072

SCHEMBL3500072

CC(C)(C)OC(=O)N1CCCc2cccc(CO)c21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MPO P05164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
UCHL1 P09936 2/20 0.39
NOTUM Q6P988 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM1A O60341 2/20 0.37
BRD4 O60885 1/20 0.37
RIPK1 Q13546 1/20 0.36

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
SCHEMBL4503093 0.92 PTGER4 (0.42) UCHL1NOTUMPTGER4PTGER2MAPK1
SCHEMBL3500666 0.84 MPO (0.39) MPOL3MBTL1KDM1ABRD4
SCHEMBL6108617 0.83 P2RX1 (0.50) MEN1KMT2AMPOL3MBTL1UCHL1
SCHEMBL16593635 0.83 NOTUM (0.41) MEN1KMT2AMPOL3MBTL1UCHL1
SCHEMBL7349579 0.81 UCHL1 (0.41) MEN1KMT2AUCHL1NOTUMPTGER4
SCHEMBL31139409 0.81 MEN1 (0.46) MEN1KMT2AL3MBTL1NOTUMMAPK1
SCHEMBL3502782 0.80 UCHL1 (0.45) MEN1KMT2AMPOUCHL1NOTUM
SCHEMBL3133623 0.80 L3MBTL1 (0.39) MEN1KMT2AMPOL3MBTL1UCHL1
SCHEMBL29183525 0.80 PTGER4 (0.41) L3MBTL1UCHL1NOTUMPTGER4PTGER2
SCHEMBL13709195 0.79 ESR2 (0.40) UCHL1NOTUMPTGER4PTGER2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 MEN1 3086/4885KMT2A 3440/4885MPO 4675/4885

“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.