SCHEMBL6219002

SCHEMBL6219002

CCOC(=O)CC(=O)CC(CC(=O)OCC)c1ccc(OC)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
PABPC1 P11940 2/20 0.40
OXTR P30559 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
NNMT P40261 1/20 0.38
KCNK3 O14649 2/20 0.37
FFAR1 O14842 1/20 0.37
CHRNA7 P36544 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
ITGB3 P05106 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
SCHEMBL6221916 0.93 FFAR1 (0.43) KMT2AMEN1PABPC1OXTRALDH1A1
SCHEMBL8349778 0.93 FFAR1 (0.41) KMT2AMEN1PABPC1OXTRKDM4E
SCHEMBL5847855 0.89 KDM4E (0.43) KMT2AMEN1PABPC1OXTRKDM4E
SCHEMBL8336651 0.84 KMT2A (0.46) KMT2AMEN1PABPC1OXTRKDM4E
SCHEMBL7020806 0.82 F2 (0.43) OXTRKDM4EALDH1A1F2F10
SCHEMBL6108573 0.81 KCNK3 (0.42) KMT2AMEN1PABPC1OXTRKDM4E
SCHEMBL6108575 0.81 KCNK3 (0.42) KMT2AMEN1PABPC1OXTRKDM4E
SCHEMBL6106081 0.81 NNMT (0.43) KMT2AMEN1PABPC1OXTRKDM4E
SCHEMBL20153392 0.81 NNMT (0.43) KMT2AMEN1PABPC1OXTRKDM4E
SCHEMBL20158362 0.79 OXTR (0.46) OXTRKDM4EALDH1A1NNMTFFAR1

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
EP-1572691-A1 PYRAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20050004200-A1 Pyrazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-06 US disclosed
WO-2004058761-A1 PYRAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO 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-20050004200-A1 Pyrazole compounds as integrin receptor antagonists derivatives ITGA5, ITGB3, ITGB5 KMT2A 4015/4885MEN1 3486/4885PABPC1 3918/4885

“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.