SCHEMBL96939

SCHEMBL96939

O=[C]c1coc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.44
MAOA P21397 6/20 0.44
PTPN1 P18031 1/20 0.44
FTO Q9C0B1 1/20 0.42
CA2 P00918 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
PGAM1 P18669 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA2B P29275 1/20 0.37
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37

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
SCHEMBL1998501 0.78 MAOB (0.40) MAOBMAOAPTPN1FTOCA2
SCHEMBL10552764 0.78 MAOB (0.40) MAOBMAOAPTPN1FTOCA2
Benzene SCHEMBL28051570 0.77 MAOB (0.42) MAOBMAOAPTPN1FTOCA2
SCHEMBL31083783 0.74 MAOB (0.41) MAOBMAOAPTPN1FTOCA2
SCHEMBL25406806 0.74 MAOB (0.41) MAOBMAOAPTPN1FTOCA2
SCHEMBL97155 0.72 MAOA (0.45) MAOBMAOAFTOKDM4EALDH1A1
SCHEMBL2525949 0.72 MAOB (0.51) MAOBMAOAPTPN1CA2KDM4E
SCHEMBL29366939 0.72 MAOB (0.51) MAOBMAOAPTPN1CA2KDM4E
SCHEMBL276153 0.70 MAOB (0.48) MAOBMAOAPTPN1FTOCA2
SCHEMBL8769445 0.70 MAOB (0.44) MAOBMAOAPTPN1FTOCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994335-B2 Electronically tuned ligands for asymmetric hydrogenation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-09 US claimed
US-20100041898-A1 Electronically Tuned Ligands For Asymmetric Hydrogenation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US claimed
WO-2008067218-A1 ELECTRONICALLY TUNED LIGANDS FOR ASYMMETRIC HYDROGENATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-05 WO claimed
US-6316620-B1 AS LIGANDS TO TRANSITION METALS WHICH ARE USED AS CATALYSTS IN SYNTHESIZING ASYMMETRIC COMPOUNDS TO OBTAIN SPECIFIC ENANTIOMERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-13 US claimed
US-5663168-A ADMINISTERING INHIBITORS OF HIV ASPARATATE PROTEASES CIBA-GEIGY CORPORATION (US) 1997-09-02 US claimed
EP-0626178-A1 Use of inhibitors of HIV-protease for the treatment of tumorous diseases CIBA-GEIGY AG (CH) 1994-11-30 EP claimed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP claimed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP claimed
CN-114751883-A Preparation method of benzofuran-3-carboxamide compound 浙江理工大学 2022-07-15 CN disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
US-8212049-B2 Electronically tuned ligands for asymmetric hydrogenation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-03 US disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP 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-20100041898-A1 Electronically Tuned Ligands For Asymmetric Hydrogenation BID, HDHD5, HRH4 MAOB 2480/4885MAOA 2667/4885PTPN1 4520/4885

“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.