SCHEMBL7653557

SCHEMBL7653557

CCOC(=O)c1ccc2c(cnn2CCC(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KMO O15229 3/20 0.45
GAA P10253 1/20 0.45
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
NLRP3 Q96P20 1/20 0.41
HSD17B2 P37059 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL7653649 0.89 KMO (0.44) MAOAMAOBKMOEGFRERBB2
SCHEMBL7425784 0.88 KMO (0.60) MAOAMAOBKMOEGFRERBB2
SCHEMBL7426302 0.88 EGFR (0.45) MAOAMAOBGAAEGFRERBB2
SCHEMBL8684577 0.88 KMO (0.43) MAOAMAOBKMOEGFRERBB2
SCHEMBL4957912 0.84 HTR2A (0.46) MAOAMAOBKMOEGFRERBB2
SCHEMBL904672 0.84 MAPT (0.48) EGFRERBB2ALDH1A1KDM4ECA12
SCHEMBL4959328 0.83 MAOA (0.43) MAOAMAOBKMOGAAEGFR
SCHEMBL7428104 0.82 PLA2G4A (0.46) MAOAMAOBEGFRERBB2ALDH1A1
SCHEMBL8684617 0.82 MAOA (0.43) MAOAMAOBKMOEGFRERBB2
Hydrochloric Acid SCHEMBL8683583 0.81 MAOA (0.42) MAOAMAOBKMOEGFRERBB2

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-6489333-B2 HETEROCYCLIC COMPOUNDS CONTAINING A GUANIDINE MIMIC, FOR INHIBITION OF CELL ADHESION, TREATMENT OF ANGIOGENESIS DISORDERS, INFLAMMATION, CANCER METASTASIS, DIABETIC RETINOPATHY, THROMBOSIS, RESTENOSIS, MACULAR DEGENERATION BRISTOL - MEYERS SQUIBB PHARMA COMPANY 2002-12-03 US disclosed
US-20010044535-A1 Integrin antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-11-22 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-20010044535-A1 Integrin antagonists ITGB3, VCAM1, ITGB2 MAOA 4152/4885MAOB 1875/4885KMO 3623/4885

“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.