SCHEMBL3600889

SCHEMBL3600889

CCOC(=O)C(=O)CC(=O)CCc1ccc(OC)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.69
GLA P06280 1/20 0.56
KMT2A Q03164 1/20 0.56
FFAR1 O14842 2/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
ALOX5 P09917 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7060212 0.88 F2RL1 (0.58) F2RL1GLAKMT2AFFAR1ALDH1A1
SCHEMBL16054967 0.86 F2RL1 (0.49) F2RL1GLAKMT2AALDH1A1POLB
SCHEMBL12704024 0.85 HTT (0.53) F2RL1GLAKMT2AALDH1A1POLB
SCHEMBL10763604 0.85 F2RL1 (0.73) F2RL1GLAKMT2AFFAR1ALDH1A1
SCHEMBL6400651 0.85 F2RL1 (0.47) F2RL1KMT2AALDH1A1POLBALOX5
SCHEMBL20897233 0.84 MAPT (0.50) F2RL1KMT2AFFAR1ALDH1A1POLB
SCHEMBL1149507 0.84 PLAAT3 (0.52) F2RL1KMT2AFFAR1ALDH1A1POLB
SCHEMBL1107673 0.84 SMN1; SMN2 (0.52) FFAR1ALDH1A1ALOX5MAPTL3MBTL1
SCHEMBL9404116 0.83 F2RL1 (1.00) F2RL1FFAR1ALDH1A1POLBPLAAT3
SCHEMBL7641739 0.82 ALOX5 (0.61) F2RL1GLAKMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2010-01-21 US disclosed
US-7615572-B2 4,5-substituted pyrazole-3-carboxylic acids/esters/salts; D-amino acid oxidase (DAAO) inhibitors; increase D-Serine level; reduce level of toxic products of D-Serine oxidation; activate N-methyl-D-aspartate NMDA-glutamate receptors; neuropathic agent, schizophrenia, Alzheimer's, anaxia SEPRACOR INC. (US) 2009-11-10 US disclosed
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2009-07-02 US disclosed
US-7488747-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2009-02-10 US disclosed
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2005-06-30 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 (3 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-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR F2RL1 2911/4885GLA 834/4885KMT2A 1883/4885
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors DDO, DAO, SRR F2RL1 2911/4885GLA 834/4885KMT2A 1883/4885
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR F2RL1 2911/4885GLA 834/4885KMT2A 1883/4885

“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.