SCHEMBL3671710

SCHEMBL3671710

COCOc1cccc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
MAPK1 P28482 1/20 0.44
ABCB1 P08183 3/20 0.44
PTPN1 P18031 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
NFE2L2 Q16236 2/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
Dimethoxymethane SCHEMBL27820464 0.89 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1ABCB1CA12CA1
SCHEMBL28586196 0.87 SMN1; SMN2 (0.65) SMN1; SMN2MAPK1PTPN1CA12CA1
SCHEMBL2220154 0.85 PTPN1 (0.51) SMN1; SMN2MAPK1PTPN1CA12CA1
SCHEMBL21246942 0.82 L3MBTL1 (0.43) SMN1; SMN2MAPK1PTPN1L3MBTL1NFE2L2
Bromomethane SCHEMBL27848237 0.82 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1CA12CA1CA2
SCHEMBL25434306 0.82 CA1 (0.61) SMN1; SMN2MAPK1CA12CA1CA2
SCHEMBL27753904 0.82 CA1 (0.61) SMN1; SMN2MAPK1CA12CA1CA2
SCHEMBL151213 0.82 CA1 (0.61) SMN1; SMN2MAPK1CA12CA1CA2
SCHEMBL12129060 0.81 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1ABCB1CA12CA1
SCHEMBL2101135 0.80 CA1 (0.62) SMN1; SMN2MAPK1CA12CA1CA2

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
CN-113214057-A Method for synthesizing aromatic aldehyde by Lewis acid catalysis 西安工程大学 2021-08-06 CN claimed
CN-113214057-A Method for synthesizing aromatic aldehyde by Lewis acid catalysis 西安工程大学 2021-08-06 CN disclosed
US-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DARPHARMA, INC. 2010-02-18 US disclosed
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists DARPHARMA, INC. (US) 2007-11-01 US disclosed
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DARPHARMA, INC. (US) 2007-07-05 US disclosed
CN-1964713-A Co-use of dopamine-receptor binding compounds DARPHARMA INC (US) 2007-05-16 CN disclosed
EP-1699450-A2 CO-ADMINISTRATION OF DOPAMINE-RECEPTOR BINDING COMPOUNDS Darpharma, INC. (US) 2006-09-13 EP disclosed
WO-2006012640-A2 METHOD OF ADMINISTRATION OF DOPAMINE RECEPTOR AGONISTS DARPHARMA, INC. (US) 2006-02-02 WO disclosed
US-20050232870-A1 Method of treatment of dopamine-related dysfunction PURDUE RESEARCH FOUNDATION AND UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2005-10-20 US disclosed
WO-2005062894-A2 CO-ADMINISTRATION OF DOPAMINE-RECEPTOR BINDING COMPOUNDS DARPHARMA, INC. (US) 2005-07-14 WO disclosed
US-6916823-B2 Method of treatment of dopamine-related dysfunction PURDUE RESEARCH FOUNDATION (US) 2005-07-12 US disclosed
US-6916832-B2 Chromeno[4,3,2-de]isoquinolines as potent dopamine receptor ligands UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-07-12 US disclosed
US-20050080266-A1 CHROMENO[4,3,2-DE]ISOQUINOLINES AS POTENT DOPAMINE RECEPTOR LIGANDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-04-14 US disclosed
CN-1499968-A Method of treatment of dopamine-related dysfuction 普渡研究基金会 2004-05-26 CN disclosed
EP-1192161-B1 CHROMENO[4,3,2-DE]ISOQUINOLINES AS POTENT DOPAMINE RECEPTOR LIGANDS PURDUE RESEARCH FOUNDATION (US) 2003-05-21 EP disclosed
US-20020132827-A1 Using full D1 dopamine receptor agonists in an intermittent dosing protocol with a short, but essential, \"off-period.\ NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-19 US disclosed
US-6413977-B1 D1 AGONISTS; CENTRAL AND PERIPHERAL NERVOUS SYSTEM DYSFUNCTIONS; IMPROVING COGNITION AND MEMORY; PARKINSON'S DISEASE, SCHIZOPHRENIA, ATTENTION-DEFICIT HYPERACTIVITY, SUBSTANCE ABUSE, PHYSIOLOGICAL FUNCTION PURDUE RESEARCH FOUNDATION 2002-07-02 US disclosed
EP-1192161-A2 CHROMENO[4,3,2-DE]ISOQUINOLINES AS POTENT DOPAMINE RECEPTOR LIGANDS PURDUE RESEARCH FOUNDATION (US) 2002-04-03 EP disclosed
WO-2000078765-A2 CHROMENO[4,3,2-de]ISOQUINOLINES AS POTENT DOPAMINE RECEPTOR LIGANDS PURDUE RESEARCH FOUNDATION (US) 2000-12-28 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 (6 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-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DRD2, DRD1, DRD3 SMN1; SMN2 1094/4885MAPK1 4026/4885ABCB1 694/4885
US-20050232870-A1 Method of treatment of dopamine-related dysfunction DRD2, DRD1, DRD3 SMN1; SMN2 716/4885MAPK1 1915/4885ABCB1 2822/4885
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists ADRA1D, DRD2, CHRM3 SMN1; SMN2 3945/4885MAPK1 3346/4885ABCB1 757/4885
US-20050080266-A1 CHROMENO[4,3,2-DE]ISOQUINOLINES AS POTENT DOPAMINE RECEPTOR LIGANDS DRD2, COMT, CHRM3 SMN1; SMN2 1017/4885MAPK1 1677/4885ABCB1 1208/4885
US-20020132827-A1 Using full D1 dopamine receptor agonists in an intermittent dosing protocol with a short, but essential, \"off-period.\ DRD2, DRD1, DRD3 SMN1; SMN2 1004/4885MAPK1 1274/4885ABCB1 1968/4885
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DRD2, DRD1, DRD3 SMN1; SMN2 1107/4885MAPK1 4013/4885ABCB1 685/4885

“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.