SCHEMBL382018

SCHEMBL382018

CCOC(=O)c1coc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
CYP1A2 P05177 2/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HSD17B2 P37059 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43

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
SCHEMBL4474538 0.84 ESR1 (0.58) ESR1CYP1A2LMNACYP3A4CYP2C9
SCHEMBL3016097 0.83 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL5737653 0.83 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL8627462 0.81 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL623423 0.81 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL8626938 0.81 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL6087188 0.81 CYP1A2 (0.53) CA12CA1CA2CA7CA9
SCHEMBL13141321 0.80 MAPT (0.54) CA12CA1CA2CA7CA9
SCHEMBL13268978 0.80 CYP2C9 (0.50) CA12CA1CA2CA7CA9
SCHEMBL9371320 0.80 CA12 (0.49) CA12CA1CA2CA7CA9

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
US-20160200639-A1 INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-07-14 US disclosed
US-8461207-B2 Phloroglucinol derivatives having selectin ligand activity REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-06-11 US disclosed
US-8278356-B2 2012-10-02 US disclosed
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 US disclosed
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 US disclosed
EP-2408743-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2012-01-25 EP disclosed
US-20110142765-A1 NOVEL PHLOROGLUCINOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-06-16 US disclosed
US-20110053939-A1 NOVEL AROMATIC NITRO COMPOUNDS REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-03-03 US disclosed
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-7608727-B2 Process for the preparation of furan compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-27 US disclosed
EP-1487828-B1 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LTD (GB) 2008-11-05 EP disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US disclosed
EP-1826202-A1 Process for the preparation of furan compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-08-29 EP disclosed
US-20070197806-A1 Process for the preparation of furan compounds DAICEL CHEMICAL INDUSTRIES, LTD. 2007-08-23 US disclosed
US-6114358-A Thrombin inhibitors BASF AKTIENGESELLSCHAFT (DE) 2000-09-05 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-20160200639-A1 INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES CCNH, CTTN, CCRL2 CA12 620/4885CA1 636/4885CA2 1245/4885
US-20070197806-A1 Process for the preparation of furan compounds CBR1, CBR3, POR CA12 3250/4885CA1 1850/4885CA2 2682/4885
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET CA12 4405/4885CA1 3884/4885CA2 1821/4885
US-20110053939-A1 NOVEL AROMATIC NITRO COMPOUNDS SELP, SELE, SELL CA12 4570/4885CA1 4799/4885CA2 4231/4885
US-20110142765-A1 NOVEL PHLOROGLUCINOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY SELPLG, SELP, SELL CA12 3936/4885CA1 4744/4885CA2 4489/4885

“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.