SCHEMBL1620544

SCHEMBL1620544

CCOc1cc(Br)cc(C=O)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.68
IGF1R P08069 1/20 0.56
LMNA P02545 1/20 0.56
PTK6 Q13882 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
XBP1 P17861 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
IDE P14735 1/20 0.47
NPC1 O15118 1/20 0.47
KLF5 Q13887 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.45

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
SCHEMBL12957482 0.81 LMNA (0.57) ERN1IGF1RLMNAPTK6MEN1
SCHEMBL1527149 0.81 KDM4E (0.61) ERN1LMNAMEN1KMT2AKDM4E
SCHEMBL27548080 0.81 ERN1 (0.57) ERN1LMNAKDM4EALDH1A1MAPT
SCHEMBL38660114 0.81 ALDH1A1 (0.58) ERN1IGF1RLMNAPTK6MEN1
SCHEMBL31499448 0.81 ERN1 (0.57) ERN1LMNAKDM4EALDH1A1MAPT
SCHEMBL294053 0.81 ERN1 (1.00) ERN1IGF1RLMNAMAPT
SCHEMBL30159258 0.81 ERN1 (1.00) ERN1IGF1RLMNAMAPT
SCHEMBL453441 0.80 ERN1 (0.68) ERN1LMNAPTK6MEN1KMT2A
SCHEMBL16055174 0.80 ERN1 (0.53) ERN1LMNAMEN1KMT2AKDM4E
SCHEMBL8160732 0.79 ERN1 (0.50) ERN1IGF1RLMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US claimed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP claimed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 WO claimed
CN-108299372-B Medicine for preventing and treating gingivitis and preparation method thereof 青岛新虹锐泽机械科技有限公司 2022-11-04 CN disclosed
EP-2194046-B1 Triazolone derivative EISAI R&D MAN CO LTD (JP) 2012-05-09 EP disclosed
US-8163787-B2 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-24 US disclosed
US-20110112109-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2011-05-12 US disclosed
US-7928228-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2011-04-19 US disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US disclosed
US-20100190783-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2010-07-29 US disclosed
EP-1631562-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Pharmacia Corporation (US) 2006-03-08 EP disclosed
EP-1615905-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS Pharmacia Corporation (US) 2006-01-18 EP disclosed
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
WO-2004087687-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed
WO-2004087686-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed
EP-0212095-B1 THERMOSETTABLE COMPOUNDS PREPARED FROM MONOHYDROXY AROMATIC ALDEHYDES AND METHYLATED PYRIDINES OR PYRAZINES THE DOW CHEMICAL COMPANY (US) 1989-09-06 EP disclosed
EP-0212095-A1 Thermosettable compounds prepared from monohydroxy aromatic aldehydes and methylated pyridines or pyrazines THE DOW CHEMICAL COMPANY (US) 1987-03-04 EP disclosed
US-4600767-A Thermostable hydroxystyrylaza compounds THE DOW CHEMICAL COMPANY (US) 1986-07-15 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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 ERN1 2661/4885IGF1R 2928/4885LMNA 3346/4885
US-20100190783-A1 TRIAZOLONE DERIVATIVES H1-0, H1-10, H1-2 ERN1 1354/4885IGF1R 476/4885LMNA 2146/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 ERN1 1512/4885IGF1R 788/4885LMNA 1872/4885
US-20100249165-A1 PDZ DOMAIN MODULATORS PDLIM5, PSD, PDCD6IP ERN1 2349/4885IGF1R 3297/4885LMNA 4607/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES ERN1 3395/4885IGF1R 2344/4885LMNA 2102/4885

“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.