SCHEMBL6972139

SCHEMBL6972139

CCOc1ccc(SC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.67
MAPT P10636 3/20 0.60
ALDH1A1 P00352 3/20 0.60
LMNA P02545 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
HTT P42858 1/20 0.60
KDM4E B2RXH2 2/20 0.57
POLB P06746 1/20 0.57
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LTA4H P09960 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MITF O75030 1/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL27801602 0.88 MAPT (0.68) NQO1MAPTALDH1A1LMNANPSR1
SCHEMBL10441158 0.83 MAOB (0.49) NQO1MAPTALDH1A1LMNANPSR1
SCHEMBL945559 0.83 NQO1 (0.70) NQO1MAPTALDH1A1LMNANPSR1
SCHEMBL10951255 0.83 NQO1 (0.70) NQO1MAPTALDH1A1LMNANPSR1
SCHEMBL9665473 0.82 LTA4H (0.52) MAPTALDH1A1LMNANPSR1HTT
SCHEMBL8361631 0.82 LTA4H (0.53) TSHRLTA4HRAB9AGAACYP1A2
1,4-Diethoxybenzene SCHEMBL124015 0.82 NQO1 (1.00) NQO1MAPTALDH1A1KDM4EPOLB
1,4-Diethoxybenzene SCHEMBL28186701 0.82 NQO1 (1.00) NQO1MAPTALDH1A1KDM4EPOLB
SCHEMBL752943 0.81 ALDH1A1 (0.45) NQO1MAPTALDH1A1LMNANPSR1
SCHEMBL7526584 0.81 ALDH1A1 (0.49) NQO1MAPTALDH1A1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111690029-B Preparation method of oxalyl coenzyme A 浙江大学 2021-11-12 CN claimed
US-20240018131-A1 MATRIX METALLOPROTEINASE (MMP) INHIBITORS AND METHODS OF USE THEREOF FORESEE PHARMACEUTICALS USA, INC. 2024-01-18 US disclosed
US-11739080-B2 Matrix metalloproteinase (MMP) inhibitors and methods of use thereof FORESEE PHARMACEUTICALS USA, INC. (US) 2023-08-29 US disclosed
US-20220054486-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC (US) 2022-02-24 US disclosed
US-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands WISCONSIN ALUMNI RESEARCH FOUNDATION 2020-04-16 US disclosed
EP-3222688-A1 FILM-FORMING COMPOSITION CONTAINING CROSSLINKABLE REACTIVE SILICONE Nissan Chemical Industries, Ltd. (JP) 2017-09-27 EP disclosed
US-20170146906-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION HAVING PHENYL GROUP-CONTAINING CHROMOPHORE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-25 US disclosed
CN-100580552-C Multi-photon reactive compositions with inorganic particles and method for fabricating structures 3M INNOVATIVE PROPERTIES CO 2010-01-13 CN disclosed
CN-100573322-C The inorganic device in plane 3M INNOVATIVE PROPERTIES CO (US) 2009-12-23 CN disclosed
CN-100468104-C Method for manufacturing photonic crystal 3M INNOVATIVE PROPERTIES CO (US) 2009-03-11 CN disclosed
CN-1688937-A Multi-photon reactive compositions with inorganic particles and method for fabricating structures 3M INNOVATIVE PROPERTIES CO (US) 2005-10-26 CN disclosed
CN-1688936-A Planar inorganic device 3M INNOVATIVE PROPERTIES CO (US) 2005-10-26 CN disclosed
CN-1119245-C Ink jet print head containing radiation curable resin layer LEXMARK INT INC (US) 2003-08-27 CN disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed
CN-1197817-A Ink jet print head containing radiation curable resin layer LEXMARK INT INC (US) 1998-11-04 CN disclosed
US-4165315-A CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4165316-A Process for preparing sulfinyl chlorides from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4081440-A Sulfinyl halides and their preparation from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-03-28 US disclosed
US-4075203-A Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-02-21 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 (4 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-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands AHCYL1, EBPL, AIP NQO1 2625/4885MAPT 4822/4885ALDH1A1 2885/4885
US-20240018131-A1 MATRIX METALLOPROTEINASE (MMP) INHIBITORS AND METHODS OF USE THEREOF MMP12, MMP1, MMP11 NQO1 760/4885MAPT 3677/4885ALDH1A1 2785/4885
US-20220054486-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT NQO1 66/4885MAPT 1957/4885ALDH1A1 801/4885
US-11739080-B2 Matrix metalloproteinase (MMP) inhibitors and methods of use thereof MMP12, MMP1, MMP11 NQO1 760/4885MAPT 3677/4885ALDH1A1 2785/4885

“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.