SCHEMBL2820796

SCHEMBL2820796

COc1ccc(/C=C2\OC(=O)c3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
ALDH1A1 P00352 4/20 0.69
HPGD P15428 3/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C19 P33261 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
POLB P06746 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
NFKB1 P19838 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
L3MBTL1 Q9Y468 2/20 0.67
ACHE P22303 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
MAOB P27338 2/20 0.55
LMNA P02545 1/20 0.52
PARP1 P09874 1/20 0.52

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
SCHEMBL2820798 1.00 KDM4E (0.69) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL4677493 0.83 ALDH1A1 (0.61) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL11176235 0.83 ALDH1A1 (0.61) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL4677495 0.83 ALDH1A1 (0.61) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL30395765 0.83 KDM4E (0.61) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL28572859 0.83 KDM4E (0.61) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL28996362 0.83 KDM4E (0.61) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL11275577 0.81 KDM4E (1.00) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL11268973 0.81 KDM4E (1.00) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL214423 0.81 KDM4E (1.00) KDM4EALDH1A1HPGDCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0105131-B1 2-(OMEGA-ALKYLAMINOALKYL)- AND 2-(OMEGA-DIALKYLAMINOALKYL)-3-(4-X-BENZYLIDENE)-PHTHALIMIDINES LABORATORI BALDACCI Spa (IT) 1987-03-11 EP claimed
CN-108752300-B Benzylidene phenylene peptide compound, pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2022-03-25 CN disclosed
CN-108752300-A Benzyl alkene pitches benzene peptides and its pharmaceutical composition and its application 中国科学院昆明植物研究所 2018-11-06 CN disclosed
EP-2007735-B1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
EP-2007735-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS Glaxo Group Limited (GB) 2008-12-31 EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-20080039444-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-02-14 US disclosed
WO-2007122156-A9 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-24 WO disclosed
US-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-20040180884-A1 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2004-09-16 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 EP disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
EP-0105131-B1 2-(OMEGA-ALKYLAMINOALKYL)- AND 2-(OMEGA-DIALKYLAMINOALKYL)-3-(4-X-BENZYLIDENE)-PHTHALIMIDINES LABORATORI BALDACCI Spa (IT) 1987-03-11 EP disclosed
US-4551453-A LOCAL ANESTHETICS LABORATORI BALDACCI SPA (IT) 1985-11-05 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 (5 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-20040180884-A1 Dibenzocycloheptene compound LTB4R2, LTA4H, LTC4S KDM4E 736/4885ALDH1A1 847/4885HPGD 193/4885
US-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 KDM4E 1050/4885ALDH1A1 2989/4885HPGD 1216/4885
US-20080039444-A1 COMPOUNDS CMA1, MRGPRX2, HRH2 KDM4E 3049/4885ALDH1A1 292/4885HPGD 118/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885ALDH1A1 1071/4885HPGD 1548/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 KDM4E 471/4885ALDH1A1 1188/4885HPGD 191/4885

“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.