SCHEMBL2955732

SCHEMBL2955732

CCC(C(=O)O)n1c(=O)oc2cc(OC)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.51
CYP2C19 P33261 1/20 0.43
CBX7 O95931 3/20 0.42
CDYL2 Q8N8U2 3/20 0.42
CDYL Q9Y232 3/20 0.42
CDY1; CDY1B Q9Y6F8 3/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
AKR1C1 Q04828 1/20 0.42
PTGS1 P23219 1/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.41
LCK P06239 1/20 0.41
TP53 P04637 1/20 0.41
SLC16A3 O15427 1/20 0.41

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
SCHEMBL2953262 0.90 KMO (0.60) KMOCBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL8798706 0.77 KDM4E (0.43) KMOKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2949061 0.76 KMO (0.45) KMOCBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL4242148 0.75 KMO (0.61) KMOCBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL14615593 0.72 KMO (0.44) KMOTSHR
SCHEMBL14615594 0.72 ALDH1A1 (0.47) KDM4EALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL2800092 0.72 AKR1C3 (0.42) KDM4EALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL8296662 0.71 L3MBTL1 (0.60) KMOKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4413088 0.71 HPGD (0.59) KMOCBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL13140318 0.71 TP53 (0.58) KMOCBX7CDYL2CDYLCDY1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US disclosed
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 (2 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-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 KMO 4460/4885CYP2C19 3962/4885CBX7 4711/4885
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 KMO 4460/4885CYP2C19 3962/4885CBX7 4711/4885

“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.