SCHEMBL4847900

SCHEMBL4847900

Cc1cc(O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.80
ALDH1A1 P00352 3/20 0.62
TTR P02766 2/20 0.62
MEN1 O00255 2/20 0.62
MAPT P10636 2/20 0.62
KMT2A Q03164 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
KDM4E B2RXH2 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 1/20 0.62
ALOX12 P18054 1/20 0.62
MAPK1 P28482 1/20 0.62
RECQL P46063 1/20 0.62
PMP22 Q01453 1/20 0.62
HIF1A Q16665 1/20 0.62
HSD17B10 Q99714 1/20 0.62
ABCC3 O15438 1/20 0.58
ABCC4 O15439 1/20 0.58

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
SCHEMBL322531 0.89 GPR35 (1.00) GPR35ALDH1A1TTRMEN1MAPT
SCHEMBL28817836 0.87 GPR35 (0.95) GPR35ALDH1A1TTRMEN1MAPT
SCHEMBL1943304 0.84 GPR35 (0.74) GPR35ALDH1A1TTRMEN1MAPT
SCHEMBL11113072 0.83 GPR35 (0.67) GPR35ALDH1A1TTRMEN1MAPT
SCHEMBL13681604 0.83 GPR35 (0.80) GPR35ALDH1A1TTRMEN1MAPT
SCHEMBL10749719 0.83 GPR35 (0.80) GPR35ALDH1A1TTRMEN1MAPT
SCHEMBL11095256 0.80 GPR35 (0.62) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL11396860 0.80 GPR35 (0.62) GPR35ALDH1A1TTRMEN1MAPT
SCHEMBL3360011 0.80 GPR35 (0.74) GPR35ALDH1A1TTRMEN1MAPT
SCHEMBL8024018 0.80 GPR35 (0.74) GPR35ALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108558842-B Pyrimidine derivative anaplastic lymphoma kinase inhibitor 山东轩竹医药科技有限公司 2021-06-04 CN disclosed
CN-107108586-B Polycyclic anaplastic lymphoma kinase inhibitors 山东轩竹医药科技有限公司 2020-07-10 CN disclosed
EP-3202765-B1 POLYCYCLIC ANAPLASTIC LYMPHOMA KINASE INHIBITOR HAINAN XUANZHU PHARMA CO LTD (CN) 2020-03-25 EP disclosed
CN-106146478-B Triazine derivatives species anaplastic lymphoma kinase inhibitor 海南轩竹医药科技有限公司 2019-07-16 CN disclosed
CN-108558842-A Pyrimidine derivates species anaplastic lymphoma kinase inhibitor 山东轩竹医药科技有限公司 2018-09-21 CN disclosed
US-10011592-B2 Polycyclic inhibitor of anaplastic lymphoma kinase Xuanzhu Pharma Co., Ltd. (CN) 2018-07-03 US disclosed
US-10011592-B2 Polycyclic inhibitor of anaplastic lymphoma kinase Xuanzhu Pharma Co., Ltd. (CN) 2018-07-03 US disclosed
CN-104892585-B Pyrimidine derivative anaplastic lymphoma kinase inhibitor 山东轩竹医药科技有限公司 2018-07-03 CN disclosed
US-20180086745-A9 POLYCYCLIC INHIBITOR OF ANAPLASTIC LYMPHOMA KINASE Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2018-03-29 US disclosed
US-20180086745-A9 POLYCYCLIC INHIBITOR OF ANAPLASTIC LYMPHOMA KINASE Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2018-03-29 US disclosed
US-20130066044-A1 POLYCARBONATE POLYOL COMPOSITIONS AND METHODS NOVOMER, INC. (US) 2013-03-14 US disclosed
US-8247520-B2 Polycarbonate polyol compositions and methods NOVOMER, INC. (US) 2012-08-21 US disclosed
US-20110230580-A1 POLYCARBONATE POLYOL COMPOSITIONS AND METHODS Novomer, Inc (US) 2011-09-22 US disclosed
US-7371866-B2 Preparation of aromatic and heteroaromatic carboxylic acids by catalytic ozonolysis DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2008-05-13 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP disclosed
US-20030216577-A1 Preparation of aromatic and heteroaromatic carboxylic acids by catalytic ozonolysis DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-11-20 US disclosed
EP-1362840-A1 Process for the preparation of aromatic and heteroaromatic carboxylic acids via catalytic ozonolysis DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-11-19 EP disclosed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 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 (4 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-20180086745-A9 POLYCYCLIC INHIBITOR OF ANAPLASTIC LYMPHOMA KINASE IKBKE, DCK, CHUK GPR35 2695/4885ALDH1A1 1865/4885TTR 2208/4885
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 GPR35 3319/4885ALDH1A1 1861/4885TTR 1154/4885
US-20110230580-A1 POLYCARBONATE POLYOL COMPOSITIONS AND METHODS PARG, PUF60, PICALM GPR35 2808/4885ALDH1A1 3934/4885TTR 4716/4885
US-10011592-B2 Polycyclic inhibitor of anaplastic lymphoma kinase IKBKE, DCK, CHUK GPR35 2695/4885ALDH1A1 1865/4885TTR 2208/4885

“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.