SCHEMBL42727

SCHEMBL42727

CO[C]1OC(=O)c2cccc(OC)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.53
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 7/20 0.48
MAPT P10636 7/20 0.48
KDM4E B2RXH2 3/20 0.48
USP2 O75604 1/20 0.48
DUSP3 P51452 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
APAF1 O14727 1/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
EGFR P00533 1/20 0.47
PIM1 P11309 1/20 0.47
RAB9A P51151 5/20 0.46

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
SCHEMBL30610021 0.85 TOP1 (0.56) TOP1KMT2AMEN1CA1CA2
SCHEMBL382674 0.85 TOP1 (0.56) TOP1KMT2AMEN1CA1CA2
SCHEMBL3417492 0.74 EGFR (0.76) TOP1KMT2AMEN1CA1CA2
SCHEMBL11106693 0.74 TDP1 (0.56) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL28575370 0.74 MEN1 (0.72) TOP1KMT2AMEN1CA1CA2
SCHEMBL13239956 0.73 ALDH1A1 (0.58) TOP1KMT2AMEN1ALDH1A1MAPT
SCHEMBL8947495 0.72 EGFR (0.73) TOP1KMT2AMEN1CA1CA2
SCHEMBL3273673 0.71 KMT2A (0.50) TOP1KMT2AMEN1CA1CA2
SCHEMBL31435387 0.71 MAPT (0.70) TOP1KMT2AMEN1CA1CA2
SCHEMBL7792566 0.71 EGFR (0.71) TOP1KMT2AMEN1CA1CA2

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 1081 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131032-A1 NEUROTHERAPEUTIC TREATMENT FOR SEXUAL DYSFUNCTION REVAAX PHARMACEUTICALS, LLC (US) 2013-05-23 US claimed
US-7355040-B2 Process for the preparation of cephalosporin compounds and synthetic intermediates ZOETIS SERVICES LLC 2008-04-08 US claimed
EP-0725783-B1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-12-18 EP claimed
EP-0915843-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSES SMITHKLINE BEECHAM PLC (GB) 1999-05-19 EP claimed
WO-1997041098-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO claimed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US claimed
EP-0321186-B1 6-(Substituted methylene)penems BEECHAM GROUP PLC (GB) 1994-03-02 EP claimed
US-4923856-A Penem compounds BEECHAM GROUP P.L.C. (GB) 1990-05-08 US claimed
EP-0321186-A1 6-(Substituted methylene)penems BEECHAM GROUP PLC (GB) 1989-06-21 EP claimed
US-4798828-A LACTAMASE INHIBITORS BEECHAM GROUP P.L.C. (GB) 1989-01-17 US claimed
US-4454069-A Clavulanic acid salts and their preparation from the tertiary butyl amine salt BEECHAM GROUP LIMITED (GB) 1984-06-12 US claimed
US-4444754-A SYNERGISTIC WITH PENICILLIN BEECHAM GROUP LIMITED (GB) 1984-04-24 US claimed
EP-0104010-A1 Intermediates for clavulanic-acid derivatives BEECHAM GROUP PLC (GB) 1984-03-28 EP claimed
US-4426389-A BACTERICIDES, ENZYME INHIBITORS BEECHAM GROUP LIMITED (GB) 1984-01-17 US claimed
US-4421760-A β-Lactam antibiotic, its preparation and use BEECHAM GROUP LIMITED (GB) 1983-12-20 US claimed
US-4407815-A AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-10-04 US claimed
US-4372962-A OXAPENICILLIN ANTIBIOTICS, BACTERICIDES, BETA-LACTAMASE INHIBITORS BEECHAM GROUP LIMITED (GB) 1983-02-08 US claimed
US-4359473-A α-Amino deoxy clavulanic acid antibacterial agents BEECHAM GROUP LIMITED (GB) 1982-11-16 US claimed
US-4343807-A BETA-LACTAMASE INHIBITORS, BACTERICIDES, ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1982-08-10 US claimed
US-4301168-A BACTERICIDES, BETA-LACTAMASE INHIBITORS BEECHAM GROUP LIMITED (GB) 1981-11-17 US claimed

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-20130131032-A1 NEUROTHERAPEUTIC TREATMENT FOR SEXUAL DYSFUNCTION PREP, DNPEP, PRSS12 TOP1 2640/4885KMT2A 4361/4885MEN1 2414/4885

“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.