SCHEMBL2804486

SCHEMBL2804486

Cc1ccc(SC=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
ALDH1A1 P00352 7/20 0.44
NPSR1 Q6W5P4 5/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
ACHE P22303 1/20 0.42
DNMT1 P26358 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
HKDC1 Q2TB90 1/20 0.38
HPGD P15428 6/20 0.36
HTT P42858 3/20 0.36
PKM P14618 2/20 0.36
ATM Q13315 2/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2578206 0.78 ALDH1A1 (0.52) CYP2A6ALDH1A1NPSR1MAPTMEN1
SCHEMBL1738285 0.76 ACHE (0.44) CYP2A6ALDH1A1NPSR1MAPTMEN1
SCHEMBL29254129 0.74 POLB (0.38) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL29254132 0.74 CYP2A6 (0.42) CYP2A6ALDH1A1NPSR1MAPTLMNA
SCHEMBL5835289 0.74 ACHE (0.42) CYP2A6ALDH1A1NPSR1MAPTMEN1
SCHEMBL14767314 0.74 ACHE (0.42) CYP2A6ALDH1A1NPSR1MAPTMEN1
P-Xylene SCHEMBL5241939 0.74 CYP2A6 (0.58) CYP2A6ALDH1A1NPSR1MAPTMEN1
Formic Acid SCHEMBL10703547 0.73 CYP2A6 (0.41) CYP2A6ALDH1A1NPSR1MAPTMEN1
SCHEMBL10736506 0.72 MEN1 (0.47) CYP2A6ALDH1A1NPSR1MAPTMEN1
SCHEMBL10736502 0.72 MEN1 (0.47) CYP2A6ALDH1A1NPSR1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100237770-A1 GOLD COMPLEX AND PROCESS FOR PREPARING THE SAME, AND ORGANIC ULTRAVIOLET ELECTROLUMINESCENT DEVICE USING SAID GOLD COMPLEX UBE INDUSTRIES, LTD. (JP) 2010-09-23 US claimed
EP-2088151-A1 GOLD COMPLEX, METHOD FOR PRODUCTION OF THE GOLD COMPLEX, AND ORGANIC ULTRAVIOLET ELECTROLUMINESCENT ELEMENT USING THE GOLD COMPLEX Ube Industries, Ltd. (JP) 2009-08-12 EP claimed
CN-118005546-A Method for synthesizing thiocarboxylate based on unsaturated hydrocarbon 安徽农业大学 2024-05-10 CN disclosed
US-20100237770-A1 GOLD COMPLEX AND PROCESS FOR PREPARING THE SAME, AND ORGANIC ULTRAVIOLET ELECTROLUMINESCENT DEVICE USING SAID GOLD COMPLEX UBE INDUSTRIES, LTD. (JP) 2010-09-23 US disclosed
EP-2088151-A1 GOLD COMPLEX, METHOD FOR PRODUCTION OF THE GOLD COMPLEX, AND ORGANIC ULTRAVIOLET ELECTROLUMINESCENT ELEMENT USING THE GOLD COMPLEX Ube Industries, Ltd. (JP) 2009-08-12 EP disclosed
CN-1080732-C Process for producing epoxy compound DOW CHEMICAL CO (US) 2002-03-13 CN disclosed
CN-1066464-C Process for preparing allyl ether, thioether and amine compounds DOW CHEMICAL CO (US) 2001-05-30 CN disclosed
EP-0799262-B1 PROCESS FOR PREPARATION OF EPOXY COMPOUNDS DOW CHEMICAL CO (US) 2001-01-03 EP disclosed
US-5908943-A Process for preparation of epoxy compounds essentially free of organic halides THE DOW CHEMICAL COMPANY (US) 1999-06-01 US disclosed
EP-0799261-B1 PROCESS FOR PREPARATION OF ALLYL ETHER, THIOETHER AND AMINE COMPOUNDS DOW CHEMICAL CO (US) 1999-05-26 EP disclosed
CN-1171124-A Process for producing epoxy compound DOW CHEMICAL CO (US) 1998-01-21 CN disclosed
CN-1171125-A Process for preparing allyl ether, thioether and amine compounds DOW CHEMICAL CO (US) 1998-01-21 CN disclosed
US-5578740-A Process for preparation of epoxy compounds essentially free of organic halides THE DOW CHEMICAL COMPANY (US) 1996-11-26 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 (1 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-20100237770-A1 GOLD COMPLEX AND PROCESS FOR PREPARING THE SAME, AND ORGANIC ULTRAVIOLET ELECTROLUMINESCENT DEVICE USING SAID GOLD COMPLEX APOL1, UFL1, ACSL3 CYP2A6 2437/4885ALDH1A1 435/4885NPSR1 2963/4885

“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.