SCHEMBL561071

SCHEMBL561071

Sc1ccc2ccccc2c1-c1c(S)ccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HSD17B10 Q99714 5/20 0.55
CYP2A6 P11509 5/20 0.55
TSHR P16473 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
HPRT1 P00492 1/20 0.50
MAPT P10636 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP1B1 Q16678 1/20 0.46
WDR5 P61964 1/20 0.45
CYP1A2 P05177 6/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
DNMT1 P26358 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.41
PAX8 Q06710 1/20 0.41
CES1 P23141 1/20 0.41
HPGD P15428 2/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL4660390 0.87 PTPN22 (0.52) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8113428 0.84 DNMT1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL6034433 0.80 HSD17B10 (0.36) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL18132854 0.80 CYP2A6 (0.47) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL6827953 0.80 KDM4E (0.47) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL467413 0.79 HSD17B10 (0.55) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2215557 0.75 MAPT (0.37) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL19435544 0.75 SLC22A12 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL94394 0.75 PTPN22 (0.60) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1393939 0.75 CYP2A6 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120033173-A1 MULTIFUNCTIONAL OPTICAL SENSOR STICHTING DUTCH POLYMER INSTITUTE (NL) 2012-02-09 US claimed
US-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-09-30 US claimed
EP-2221592-A1 Multifunctional optical sensor Stichting Dutch Polymer Institute (NL) 2010-08-25 EP claimed
EP-2208722-A1 PROCESS FOR PRODUCTION OF DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALYST, PROCESS FOR PRODUCTION OF -AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE SALT National University Corporation Nagoya University (JP) 2010-07-21 EP claimed
JP-8217775-A None JP disclosed
EP-3042924-B1 POLYARYLENE SULFIDE RESIN AND MANUFACTURING METHOD THEREFOR, POLY(ARYLENE SULFONIUM SALT) AND MANUFACTURING METHOD THEREFOR, AND SULFOXIDE DAINIPPON INK & CHEMICALS (JP) 2020-04-29 EP disclosed
US-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 US disclosed
US-9123902-B2 Semiconductor compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-09-01 US disclosed
US-9123902-B2 Semiconductor compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-09-01 US disclosed
US-9123902-B2 Semiconductor compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-09-01 US disclosed
US-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS TRUSTEES OF BOSTON COLLEGE 2014-12-18 US disclosed
CN-101835745-B Method for producing disulfonic acid compound, asymmetric mannich catalyst, method for producing beta-aminocarbonyl derivative, and disulfonate salt UNIV NAGOYA NAT UNIV CORP 2013-08-28 CN disclosed
EP-2208722-A1 PROCESS FOR PRODUCTION OF DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALYST, PROCESS FOR PRODUCTION OF -AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE SALT National University Corporation Nagoya University (JP) 2010-07-21 EP disclosed
EP-2208722-A1 PROCESS FOR PRODUCTION OF DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALYST, PROCESS FOR PRODUCTION OF -AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE SALT National University Corporation Nagoya University (JP) 2010-07-21 EP disclosed
EP-2208722-A1 PROCESS FOR PRODUCTION OF DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALYST, PROCESS FOR PRODUCTION OF -AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE SALT National University Corporation Nagoya University (JP) 2010-07-21 EP disclosed
WO-2009054240-A1 PROCESS FOR PRODUCTION OF DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALYST, PROCESS FOR PRODUCTION OF β-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE SALT NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2009-04-30 WO disclosed
EP-1768943-B1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE 1,1'-SPIROBIINDANE-6,6'-DIOL DERIVATIVES IND TECH RES INST (CN) 2008-12-17 EP disclosed
WO-2004011473-A1 ORGANOGERMANIUM COMPOUNDS AND METHODS FOR THEIR USE CHIROGEN PTY LIMITED (AU) 2004-02-05 WO disclosed
JP-2000290099-A ASYMMETRIC SURFACE STRUCTURE NIPPON SHOKUBAI CO LTD 2000-10-17 JP disclosed
JP-H08217775-A NEW CROWN THIOETHER AND ITS TRANSITION METALLIC COMPLEX AND PRODUCTION OF OPTICALLY ACTIVE ALCOHOL USING THE SAME TAKASAGO INTERNATL CORP 1996-08-27 JP 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 (2 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-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE MGAT2, MPST, MGAT1 ALDH1A1 213/4885HSD17B10 2318/4885CYP2A6 2108/4885
US-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS ADH5, ADH1A, ADH1C ALDH1A1 21/4885HSD17B10 952/4885CYP2A6 729/4885

“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.