SCHEMBL4100666

SCHEMBL4100666

O=Cc1cccc(Oc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.59
TRIM33 Q9UPN9 1/20 0.59
UNG P13051 1/20 0.59
SRD5A2 P31213 3/20 0.57
AKR1C3 P42330 1/20 0.57
ALDH1A1 P00352 1/20 0.52
PARP10 Q53GL7 3/20 0.50
PARP15 Q460N3 2/20 0.50
PARP3 Q9Y6F1 1/20 0.50
KDM4E B2RXH2 1/20 0.49
KMO O15229 1/20 0.49
SRC P12931 1/20 0.49
TNKS O95271 1/20 0.49
PARP14 Q460N5 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
PTPN1 P18031 1/20 0.48
ACP1 P24666 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL3130174 0.89 UNG (0.71) TRIM24TRIM33UNGAKR1C3KDM4E
SCHEMBL11220393 0.88 SRD5A2 (0.58) UNGSRD5A2AKR1C3PARP10PARP15
SCHEMBL11222905 0.86 MAOB (0.59) AKR1C3ALDH1A1SRCMEN1KMT2A
SCHEMBL6856729 0.86 SRC (0.56) ALDH1A1KDM4ESRCMEN1KMT2A
SCHEMBL11482497 0.84 MAOB (0.61) AKR1C3ALDH1A1SRCMEN1KMT2A
SCHEMBL29484309 0.84 MAOB (0.61) AKR1C3ALDH1A1SRCMEN1KMT2A
SCHEMBL2708209 0.84 SRD5A2 (0.71) SRD5A2AKR1C3PARP10PARP15KDM4E
SCHEMBL98478 0.84 MAOB (0.61) AKR1C3ALDH1A1SRCMEN1KMT2A
SCHEMBL758230 0.84 AKR1C3 (0.72) UNGAKR1C3ALDH1A1PARP10PARP15
SCHEMBL20772350 0.83 ALDH1A1 (0.58) ALDH1A1PARP10PARP15PARP3KDM4E

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
EP-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US disclosed
EP-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-01-30 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-20090062366-A1 Pyrrolidine derivative or salt thereof CASR, CYP2R1, PTH1R TRIM24 3620/4885TRIM33 3354/4885UNG 2047/4885

“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.