SCHEMBL2953262

SCHEMBL2953262

CCC(C(=O)O)n1c(=O)oc2ccc(OC)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.60
CDYL2 Q8N8U2 8/20 0.50
CDYL Q9Y232 8/20 0.50
CBX7 O95931 7/20 0.50
CDY1; CDY1B Q9Y6F8 6/20 0.50
CD74 P04233 2/20 0.47
MIF P14174 2/20 0.47
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
AKR1C1 Q04828 1/20 0.42
PTGS1 P23219 1/20 0.42
TSPO P30536 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2955732 0.90 KMO (0.51) KMOCDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL2949061 0.85 KMO (0.45) KMOCDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL2950965 0.75 KMO (0.76) KMOCDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL29957877 0.75 KMO (0.76) KMOCDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL2800092 0.74 AKR1C3 (0.42) AKR1C3AKR1C2AKR1C1PTGS1KDM4E
SCHEMBL14615630 0.74 KMO (0.67) KMOCDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL14615642 0.72 KMO (0.52) KMOALDH1A1SMN1; SMN2
SCHEMBL27033393 0.71 CDYL2 (0.69) KMOCDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL29958210 0.71 CDYL2 (0.69) KMOCDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL13099996 0.71 CDYL2 (0.64) KMOCDYL2CDYLCBX7CDY1; CDY1B

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-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION 2009-11-05 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-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 KMO 4460/4885CDYL2 3216/4885CDYL 4158/4885

“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.