SCHEMBL4257992

SCHEMBL4257992

COc1cc(OC)c2ccccc2c1[CH]C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PLK1 P53350 1/20 0.41
ATM Q13315 4/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ABCB1 P08183 1/20 0.40
HPGDS O60760 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDC25B P30305 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1004872 0.79 ERN1 (0.44) KDM4EMAPTL3MBTL1IMPDH2IMPDH1
SCHEMBL29459690 0.79 ERN1 (0.44) KDM4EMAPTL3MBTL1IMPDH2IMPDH1
SCHEMBL1002684 0.71 ERN1 (0.53) MAPT
SCHEMBL29708049 0.71 ERN1 (0.53) MAPT
SCHEMBL9627466 0.71 HTT (0.61) ALOX15KDM4EMAPTL3MBTL1MEN1
SCHEMBL4257999 0.70 CYP3A4 (0.50) ALOX15KDM4EPLK1ATMHPGDS
SCHEMBL28078108 0.69 KDM4E (0.68) KDM4EATMMAPTMEN1KMT2A
SCHEMBL5950414 0.69 ALDH1A1 (0.50) ALOX15KDM4EABCB1MAPTCYP1A2
SCHEMBL5389185 0.69 ERN1 (0.45) KDM4EMAPTL3MBTL1MEN1KMT2A
SCHEMBL5389193 0.69 ERN1 (0.45) KDM4EMAPTL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
EP-1553949-B1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-18 EP disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
US-7160893-B2 Pyrimidine-2,4-dione derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-09 US disclosed
US-7132424-B2 Monocyclic derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-11-07 US disclosed
US-20060247231-A1 Amide and ester matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2006-11-02 US disclosed
US-6977261-B2 Azaisoquinoline derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-12-20 US disclosed
US-6974822-B2 3-isoquinolinone derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-12-13 US disclosed
US-6908917-B2 Chromone derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-06-21 US disclosed
EP-1539163-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
US-20040038961-A1 Azaisoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-02-26 US disclosed
US-20040038974-A1 Chromone derivatives as matrix metalloproteinase inhibitors ORTWINE DANIEL FRED (US) 2004-02-26 US disclosed
US-20040038959-A1 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-02-26 US disclosed
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-02-26 US disclosed
US-20040038973-A1 Treating osteoarthritis or rheumatoid arthritis NAHRA JOE (US) 2004-02-26 US disclosed
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
WO-2004014377-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014366-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014892-A1 MONOCYCLIC DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014378-A1 3-ISOQUINOLINONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (8 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-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP2, MMP3 ALOX15 1916/4885KDM4E 724/4885PLK1 1919/4885
US-20060247231-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP9, MMP3 ALOX15 493/4885KDM4E 571/4885PLK1 3509/4885
US-20040038974-A1 Chromone derivatives as matrix metalloproteinase inhibitors MMP9, MMP20, MMP25 ALOX15 455/4885KDM4E 825/4885PLK1 2326/4885
US-20040038959-A1 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors MMP1, MMP9, MMP3 ALOX15 381/4885KDM4E 2033/4885PLK1 2082/4885
US-20040038961-A1 Azaisoquinoline derivatives as matrix metalloproteinase inhibitors MMP13, MMP9, MMP1 ALOX15 311/4885KDM4E 462/4885PLK1 2864/4885
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors MMP9, MMP3, MMP13 ALOX15 357/4885KDM4E 1030/4885PLK1 3192/4885
US-20040038973-A1 Treating osteoarthritis or rheumatoid arthritis MMP13, MMP11, MMP9 ALOX15 130/4885KDM4E 2282/4885PLK1 2485/4885
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP11 ALOX15 351/4885KDM4E 1434/4885PLK1 2151/4885

“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.