SCHEMBL4171673

SCHEMBL4171673

CCCOc1cc[c]cc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 3/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
HTR7 P34969 1/20 0.36
TDP1 Q9NUW8 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CSNK2A1 P68400 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL21268144 0.91 CYP1A2 (0.41) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL702267 0.85 HPGD (0.39) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL2956325 0.84 L3MBTL1 (0.38) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL687572 0.82 MAPT (0.39) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL706888 0.81 IDO1 (0.36) ALDH1A1MEN1KMT2AHTR7SMN1; SMN2
SCHEMBL8345642 0.81 TDP1 (0.34) HPGDKDM4EALDH1A1MAPTHTR7
SCHEMBL16240200 0.81 KDM4E (0.44) HPGDKDM4ETP53HTR7SMN1; SMN2
SCHEMBL17046320 0.81 MAPT (0.38) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL16240198 0.81 HTR7 (0.60) KDM4EALDH1A1HTR7SMN1; SMN2LMNA
SCHEMBL162033 0.78 L3MBTL1 (0.40) HPGDKDM4EALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102993166-B Preparation method and application of 3H-1,2-dithiole-3-thioketone compound UNIV SOOCHOW 2015-05-13 CN claimed
CN-102993166-A Preparation method and application of 3H-1,2-dithiole-3-thioketone compound UNIV SOOCHOW 2013-03-27 CN claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
CN-102993166-B Preparation method and application of 3H-1,2-dithiole-3-thioketone compound UNIV SOOCHOW 2015-05-13 CN disclosed
CN-102993166-A Preparation method and application of 3H-1,2-dithiole-3-thioketone compound UNIV SOOCHOW 2013-03-27 CN disclosed
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 US disclosed
EP-1444228-B1 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS INST FOR PHARM DISCOVERY INC (US) 2008-05-21 EP disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
US-20070299117-A1 Hydroxypropylaimines PHARMACIA & UPJOHN COMPANY 2007-12-27 US disclosed
US-7244755-B2 Hydroxypropylamines PHARMACIA & UPJOHN COMPANY (US) 2007-07-17 US disclosed
EP-1444228-A2 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2004-08-11 EP disclosed
EP-1432674-A2 HYDROXYPROPYLAMINES Elan Pharmaceuticals, Inc. (US) 2004-06-30 EP disclosed
US-20030166668-A1 Substituted heteroarylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. A CORPORATION OF THE STATE OF DELAWARE 2003-09-04 US disclosed
US-20030125365-A1 Hydroxypropylamines PHARMACIA & UPJOHN COMPANY 2003-07-03 US disclosed
WO-2003044015-A2 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2003-05-30 WO disclosed
WO-2003029169-A2 HYDROXYPROPYLAMINES ELAN PHARMACEUTICALS, INC. (US) 2003-04-10 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 (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-20030125365-A1 Hydroxypropylamines BACE1, PSEN1, APP HPGD 528/4885KDM4E 3378/4885ALDH1A1 1278/4885
US-20090163535-A1 Substituted Heteroarylalkanoic Acids GPR119, LIPA, LIPC HPGD 1443/4885KDM4E 4022/4885ALDH1A1 227/4885
US-20070299117-A1 Hydroxypropylaimines BACE1, APP, BACE2 HPGD 187/4885KDM4E 4151/4885ALDH1A1 979/4885
US-20030166668-A1 Substituted heteroarylalkanoic acids GPR119, LIPA, DDC HPGD 1349/4885KDM4E 4051/4885ALDH1A1 270/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX HPGD 1114/4885KDM4E 2719/4885ALDH1A1 1019/4885

“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.