SCHEMBL3973218

SCHEMBL3973218

OCC=Cc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.59
PTGS1 P23219 1/20 0.56
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 2/20 0.55
RECQL P46063 1/20 0.55
HDAC1 Q13547 1/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
GRIK1 P39086 1/20 0.49
GRIK2 Q13002 1/20 0.49
GRIK3 Q13003 1/20 0.49
NQO2 P16083 2/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CNR2 P34972 2/20 0.48

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
SCHEMBL6500171 1.00 RELA (0.59) RELAPTGS1ALDH1A1CYP3A4RECQL
SCHEMBL11351372 0.94 ALDH1A1 (0.53) RELAPTGS1ALDH1A1CYP3A4RECQL
SCHEMBL8648985 0.92 ALDH1A1 (0.63) RELAPTGS1ALDH1A1CYP3A4RECQL
SCHEMBL8648982 0.92 ALDH1A1 (0.63) RELAPTGS1ALDH1A1CYP3A4RECQL
SCHEMBL10746611 0.87 CNR2 (0.55) RELAPTGS1ALDH1A1CYP3A4HDAC1
SCHEMBL10746614 0.87 CNR2 (0.55) RELAPTGS1ALDH1A1CYP3A4HDAC1
SCHEMBL10743059 0.85 RELA (0.55) RELAPTGS1ALDH1A1HDAC1KDM4E
SCHEMBL10743046 0.85 RELA (0.55) RELAPTGS1ALDH1A1HDAC1KDM4E
SCHEMBL31035992 0.82 HDAC1 (0.59) RELAPTGS1ALDH1A1CYP3A4HDAC1
SCHEMBL29263660 0.82 HDAC1 (0.59) RELAPTGS1ALDH1A1CYP3A4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10112896-B2 Method for synthesizing dissymmetric sulfoether SOOCHOW UNIVERSITY (CN) 2018-10-30 US claimed
US-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER SOOCHOW UNIVERSITY (CN) 2018-07-19 US claimed
CN-113429249-B Method for synthesizing chiral 4-hydroxy amino acid derivative 陕西师范大学 2023-06-16 CN disclosed
CN-111320591-B Method for synthesizing chiral gamma-amino alcohol 陕西师范大学 2023-03-31 CN disclosed
CN-113429249-A Method for synthesizing chiral 4-hydroxy amino acid derivative 陕西师范大学 2021-09-24 CN disclosed
CN-111320591-A Method for synthesizing chiral gamma-amino alcohol 陕西师范大学 2020-06-23 CN disclosed
US-10112896-B2 Method for synthesizing dissymmetric sulfoether SOOCHOW UNIVERSITY (CN) 2018-10-30 US disclosed
US-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER SOOCHOW UNIVERSITY (CN) 2018-07-19 US disclosed
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
WO-2009051661-A2 SUBSTITUTED ARYL ALKYLAMINO-OXY-ANALOGS AND USES THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2009-04-23 WO disclosed
EP-2027087-A2 INTRACELLULAR KINASE INHIBITORS MannKind Corporation (US) 2009-02-25 EP disclosed
WO-2007136790-A2 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2007-11-29 WO disclosed
US-6867218-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-03-15 US disclosed
US-20030195200-A1 Compounds, their preparation and use VTVX HOLDINGS II LLC 2003-10-16 US disclosed
US-6555577-B1 For treatment and/or prevention of conditions mediated by the Peroxisome Proliferator-Activated Receptors (PPAR), such as diabetes and/or obesity; 3-(4-(3-Biphenyl-4-yl-but-2-enyloxy)-phenyl)-2-butoxy-propionic acid for example NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 EP disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
WO-2002017973-A2 PREPARING STERILE ARTICLES FROM CERTAIN POLYMERS OCCIDENTAL CHEMICAL CORPORATION (US) 2002-03-07 WO disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP disclosed
US-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 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 (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-10112896-B2 Method for synthesizing dissymmetric sulfoether STS, TST, SCLY RELA 1685/4885PTGS1 1501/4885ALDH1A1 842/4885
US-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER STS, TST, SCLY RELA 1685/4885PTGS1 1501/4885ALDH1A1 842/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK RELA 2101/4885PTGS1 3298/4885ALDH1A1 4370/4885
US-20030195200-A1 Compounds, their preparation and use PPARG, PPARA, PPARD RELA 676/4885PTGS1 142/4885ALDH1A1 257/4885

“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.