SCHEMBL3743499

SCHEMBL3743499

COc1c(C)c(C=O)c(OC)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MCL1 Q07820 1/20 0.49
ERN1 O75460 2/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 2/20 0.42
IDO1 P14902 1/20 0.42
MAPT P10636 3/20 0.39
CYP2C19 P33261 2/20 0.39
HTT P42858 2/20 0.39
SLC2A1 P11166 1/20 0.39
LCK P06239 1/20 0.39
GLA P06280 1/20 0.39
THRB P10828 1/20 0.39
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL30194974 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL13894552 0.91 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL7832858 0.87 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL13894558 0.87 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL3755837 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL10488238 0.82 ALDH1A1 (0.65) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL13079413 0.81 KDM4E (0.47) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL20100147 0.81 KDM4E (0.52) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL3805142 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL3743862 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 EP disclosed
EP-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 EP disclosed
EP-2868658-B1 Method of preparation of stereospecific quinone derivatives MEHTA DILIP (US) 2018-05-02 EP disclosed
US-9464021-B2 Method of preparation of stereospecific quinone derivatives MEHTA DILIP S (IN) 2016-10-11 US disclosed
US-9464021-B2 Method of preparation of stereospecific quinone derivatives MEHTA DILIP S (IN) 2016-10-11 US disclosed
US-9464021-B2 Method of preparation of stereospecific quinone derivatives MEHTA DILIP S (IN) 2016-10-11 US disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-20150126763-A1 METHOD OF PREPARATION OF STEREOSPECIFIC QUINONE DERIVATIVES MEHTA DILIP S (IN) 2015-05-07 US disclosed
WO-2009042544-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2009-04-02 WO disclosed
EP-0737671-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5804601-A USEFUL FOR TREATING ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, BACTERIAL OR VIRAL MENINGITIS, DOWN'S SYNDROME AND PARKINSON'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-08 US disclosed
EP-0737671-A2 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-10-16 EP disclosed
US-5229385-A Thromboxane A2 and lipoxygenase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-20 US disclosed
US-5106858-A For disfunction of heart, brain, lung or kidney TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-21 US disclosed
EP-0234729-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-12-27 EP disclosed
US-4985447-A USEFUL FOR TREATMENT AND PREVENTION OF DISEASES DUE TO DYSFUNCTION OF HEART, BRAIN, LUNG AND KIDNEY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-01-15 US disclosed
US-4851413-A TREATMENT OF HEART, BRAIN, LUNG OR KIDNEY DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0234729-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-09-02 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-20150126763-A1 METHOD OF PREPARATION OF STEREOSPECIFIC QUINONE DERIVATIVES UBE2D3, ULK3, UCK2 ALDH1A1 706/4885KDM4E 3361/4885MAPK1 2105/4885

“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.