SCHEMBL2114758

SCHEMBL2114758

c1ccc2c(SC3CCCCC3)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 5/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
HIF1A Q16665 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
EPHX1 P07099 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A3 Q01959 1/20 0.36
ACP3 P15309 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
IFNAR1 P17181 1/20 0.36
MPI P34949 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL2116451 0.98 BCL2 (0.43) BCL2ALDH1A1MAPTHIF1ALMNA
SCHEMBL22288219 0.90 HPRT1 (0.45) BCL2ALDH1A1MAPTHIF1ALMNA
SCHEMBL28448913 0.84 BCL2 (0.39) BCL2ALDH1A1MAPTHIF1ALMNA
SCHEMBL29587772 0.82 CYP19A1 (0.41) BCL2ALDH1A1MAPTHIF1ALMNA
SCHEMBL21047629 0.82 CYP19A1 (0.41) BCL2ALDH1A1MAPTHIF1ALMNA
SCHEMBL20495594 0.82 MAOA (0.44) BCL2ALDH1A1MAPTHIF1ALMNA
SCHEMBL30548748 0.82 MAOA (0.44) BCL2ALDH1A1MAPTHIF1ALMNA
Hydrochloric Acid SCHEMBL6959604 0.76 LMNA (0.41) ALDH1A1MAPTLMNAHPGDKDM4E
SCHEMBL30958574 0.76 ALDH1A1 (0.47) BCL2ALDH1A1MAPTHIF1ALMNA
SCHEMBL202984 0.76 BCL2 (0.41) BCL2ALDH1A1MAPTHIF1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US claimed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP claimed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO claimed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
EP-3592729-B1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-06-30 EP disclosed
US-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-05-06 US disclosed
US-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-05-06 US disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP disclosed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO disclosed
US-7217492-B2 Onium salt compound and radiation-sensitive resin composition JSR CORPORATION (JP) 2007-05-15 US disclosed
US-20050053861-A1 Onium salt compound and radiation-sensitive resin composition JSR CORPORATION (JP) 2005-03-10 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 (3 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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B BCL2 4115/4885ALDH1A1 3676/4885MAPT 198/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B BCL2 4115/4885ALDH1A1 3676/4885MAPT 198/4885
US-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION AOX1, TYR, CXXC4 BCL2 2839/4885ALDH1A1 944/4885MAPT 1811/4885

“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.