SCHEMBL398669

SCHEMBL398669

CCOc1cc(C=O)cc(Br)c1O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 8/20 0.59
MAPK1 P28482 2/20 0.57
HSD17B10 Q99714 1/20 0.57
POLB P06746 2/20 0.56
IGF1R P08069 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALPG P10696 2/20 0.55
ALPL P05186 1/20 0.55
ALPI P09923 1/20 0.55
SIRT1 Q96EB6 1/20 0.52
LMNA P02545 3/20 0.51
GALK1 P51570 1/20 0.50
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 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
SCHEMBL29985579 1.00 KDM4E (0.60) KDM4EALDH1A1MAPK1HSD17B10POLB
SCHEMBL1004449 0.88 KDM4E (0.69) KDM4EALDH1A1POLBIGF1RMEN1
SCHEMBL3576792 0.84 ALDH1A1 (0.67) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1515768 0.81 KDM4E (0.61) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL403220 0.81 KDM4E (0.61) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL8585914 0.81 KDM4E (0.66) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL1527149 0.81 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL15553080 0.81 KDM4E (0.75) KDM4EALDH1A1HSD17B10POLBMEN1
SCHEMBL29361178 0.81 GAA (0.64) KDM4EALDH1A1MAPK1POLBMEN1
SCHEMBL565133 0.81 GAA (0.64) KDM4EALDH1A1MAPK1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0488860-B1 Method for the production of polyalkoxylated aromatic compounds RHONE POULENC CHIMIE (FR) 1995-10-11 EP claimed
EP-0423010-B1 METHOD FOR THE PRODUCTION OF ALKOXYBENZALDEHYDES RHONE-POULENC CHIMIE (FR) 1993-09-29 EP claimed
US-11993562-B2 Methods for isolation and purification of cannabidiol (CBD) and terpenes from hemp RJ LEE GROUP, INC. (US) 2024-05-28 US disclosed
US-20220324780-A1 METHODS FOR ISOLATION AND PURIFICATION OF CANNABIDIOL (CBD) AND TERPENES FROM HEMP RJ LEE GROUP, INC. 2022-10-13 US disclosed
US-9283229-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-03-15 US disclosed
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2015-08-13 US disclosed
US-9067893-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-06-30 US disclosed
US-20140235640-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-8741915-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-8436197-B2 Palladium complexes and polymerization and coupling processes thereof WEST CHESTER UNIVERSITY OF PENNSYLVANIA OF THE STATE SYSTEM OF HIGHER EDUCATION (US) 2013-05-07 US disclosed
US-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-08-16 US disclosed
WO-2004009596-A2 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
US-6268391-B1 Benzylidene-1,3-dihydro-indol-2-one derivatives a receptor tyrosine kinase inhibitors, particularly of Raf kinases GLAXO WELLCOME INC. 2001-07-31 US disclosed
EP-1003721-A1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LIMITED (GB) 2000-05-31 EP disclosed
WO-1999010325-A1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LIMITED (GB) 1999-03-04 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
US-3993761-A 2,4-DIAMINO-5-(3-ALKOXY-4,5-METHYLENEDIOXYBENZYL)-PYRIMIDINES HOFFMANN-LA ROCHE INC. (US) 1976-11-23 US disclosed
US-3962435-A ANTIBACTERIAL HOFFMANN-LA ROCHE INC. (US) 1976-06-08 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-20140235640-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 KDM4E 3194/4885ALDH1A1 207/4885MAPK1 3801/4885
US-20220324780-A1 METHODS FOR ISOLATION AND PURIFICATION OF CANNABIDIOL (CBD) AND TERPENES FROM HEMP CNR2, CNR1, CYP8B1 KDM4E 2463/4885ALDH1A1 3151/4885MAPK1 4181/4885
US-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 KDM4E 3194/4885ALDH1A1 207/4885MAPK1 3801/4885
US-11993562-B2 Methods for isolation and purification of cannabidiol (CBD) and terpenes from hemp CNR2, CNR1, CYP8B1 KDM4E 2463/4885ALDH1A1 3151/4885MAPK1 4181/4885
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 KDM4E 3194/4885ALDH1A1 207/4885MAPK1 3801/4885

“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.