SCHEMBL106314

SCHEMBL106314

CC(=O)c1ccc(SC2CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 5/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
GRIK1 P39086 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B1 P14061 1/20 0.41
MEN1 O00255 3/20 0.39
NPC1 O15118 1/20 0.39
EPHX1 P07099 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL10229754 0.91 HPGD (0.52) HPGDLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL10870783 0.88 HPGD (0.63) HPGDLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL4066853 0.88 HPGD (0.48) HPGDLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL10872173 0.88 HPGD (0.48) HPGDLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL10871293 0.88 HPGD (0.48) HPGDLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL2734194 0.85 CES2 (0.45) HPGDLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL10872030 0.84 LMNA (0.44) HPGDLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL10872092 0.84 HPGD (0.58) HPGDLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL10873070 0.84 KMT2A (0.58) HPGDLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL10872029 0.84 LMNA (0.44) HPGDLMNAL3MBTL1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4155301-A1 3,4-DIHYDROISOQUINOLINE COMPOUND AND USE THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2023-03-29 EP disclosed
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 US disclosed
US-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 US disclosed
US-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 US disclosed
US-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 US disclosed
EP-1907383-A1 GPCR AGONISTS Prosidion Limited (GB) 2008-04-09 EP disclosed
WO-2007003960-A1 GPCR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 WO disclosed
WO-2007003960-A1 GPCR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 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 (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-20090325924-A1 GPCR Agonists GPR119, GCGR, GPR27 HPGD 1902/4885LMNA 4210/4885L3MBTL1 4073/4885
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 HPGD 1883/4885LMNA 1575/4885L3MBTL1 1132/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR HPGD 1102/4885LMNA 1288/4885L3MBTL1 2622/4885

“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.