SCHEMBL1200818

SCHEMBL1200818

O=C(O)CSC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 8/20 0.45
MAPK1 P28482 2/20 0.45
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 3/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
USP2 O75604 1/20 0.37
MITF O75030 1/20 0.36
KLF5 Q13887 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
SCHEMBL24564744 1.00 KMT2A (0.46) KMT2AALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL3706423 0.98 KMT2A (0.43) KMT2AALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL997207 0.87 CYP2D6 (0.43) KMT2AALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL31631322 0.87
SCHEMBL996829 0.84 ALDH1A1 (0.38) KMT2AALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL13934134 0.79 ALDH1A1 (0.47) KMT2AALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL20173448 0.79 ALDH1A1 (0.44) KMT2AALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL11266483 0.79 ALDH1A1 (0.44) KMT2AALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL27166971 0.79 ALDH1A1 (0.44) KMT2AALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL6704692 0.77 ALDH1A1 (0.46) KMT2AALDH1A1MAPK1ALOX15RAB9A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204471-A1 Compounds and Methods for Treating Autoimmune Disorders by Targeting HLA-DQ2 IMMUNOMOLECULAR THERAPEUTICS, INC. 2022-06-30 US disclosed
EP-2060594-B1 Method for producing polymer UNIV HOKKAIDO NAT UNIV CORP (JP) 2011-03-09 EP disclosed
US-7888351-B2 Organic compounds NOVARTIS AG (CH) 2011-02-15 US disclosed
US-20110034462-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2011-02-10 US disclosed
EP-1920042-B1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL AG & CO KGAA (DE) 2010-06-23 EP disclosed
US-20090281069-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-11-12 US disclosed
US-20090226988-A1 Method for producing polymer NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY 2009-09-10 US disclosed
EP-2060594-A2 Method for producing polymer National University Corporation Hokkaido University (JP) 2009-05-20 EP disclosed
EP-2046929-A1 LIQUID SUPPORT Henkel AG & Co. KGaA (DE) 2009-04-15 EP disclosed
EP-2038391-A1 WASHING, CLEANING AND CARE PRODUCTS Henkel AG & Co. KGaA (DE) 2009-03-25 EP disclosed
WO-2007118747-A1 AQUEOUS CLEANING AGENT CONTAINING PERFUME HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed
WO-2007115821-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 WO disclosed
US-7268132-B2 Thio substituted with a hetero multiring group; sleepiness, promotion of wakefulness, Parkinson's disease, cerebral ischemia, stroke, sleep apneas, eating disorders, stimulation of appetite and weight gain, attention deficit hyperactivity disorder CEPHALON, INC. (US) 2007-09-11 US disclosed
US-RE39575-E1 Substituted thioacetamides CEPHALON, INC. (US) 2007-04-17 US disclosed
WO-2007028478-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028477-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028480-A1 PARTICLES CONTAINING ZEOLITE AND PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
US-6583133-B1 Especially against Gram-positive organisms, e.g. methicillin-sensitive (MSSA) and methicillin- resistant (MRSA) staphylococci, enterococci and pneumococci BASILEA PHARMACEUTICA AG (CH) 2003-06-24 US disclosed
EP-1090013-A1 PROPENYL CEPHALOSPORIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-1999067255-A1 PROPENYL CEPHALOSPORIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-12-29 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-20090281069-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 KMT2A 2877/4885ALDH1A1 72/4885MAPK1 4494/4885
US-20110034462-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 KMT2A 2877/4885ALDH1A1 72/4885MAPK1 4494/4885
US-20220204471-A1 Compounds and Methods for Treating Autoimmune Disorders by Targeting HLA-DQ2 HLA-DRB1, CD74, HLA-B KMT2A 1995/4885ALDH1A1 3804/4885MAPK1 3671/4885

“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.