SCHEMBL198709

SCHEMBL198709

CCCCCSCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
THRB P10828 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
BLM P54132 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA2 P00918 1/20 0.48
TSHR P16473 2/20 0.47
CES1 P23141 5/20 0.43
FAAH O00519 4/20 0.43
PLA2G6 O60733 1/20 0.43
LMNA P02545 1/20 0.40
PRKD3 O94806 2/20 0.39
PRKCG P05129 2/20 0.39
PRKCB P05771 2/20 0.39
PRKCA P17252 2/20 0.39
PRKCH P24723 2/20 0.39

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
SCHEMBL2327993 1.00 CES2 (0.50) CES2THRBGMNNTP53POLB
SCHEMBL199887 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB
SCHEMBL7153602 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB
SCHEMBL9862442 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB
Dioctylsulfane SCHEMBL1358875 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB
SCHEMBL23034315 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB
SCHEMBL200628 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB
SCHEMBL198802 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB
SCHEMBL200096 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB
SCHEMBL9231864 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105985774-B The application of nanocrystalline-ligand complex, preparation method, printing material and printing material 纳晶科技股份有限公司 2019-05-28 CN claimed
CN-105985774-A Nanocrystalline-ligand compound, preparation method of nanocrystalline-ligand compound, printing material and use of printing material 纳晶科技股份有限公司 2016-10-05 CN claimed
CN-117924548-A Catalyst component for olefin polymerization, preparation method, catalyst system and olefin polymerization method 中国石油化工股份有限公司 2024-04-26 CN disclosed
CN-105985774-B The application of nanocrystalline-ligand complex, preparation method, printing material and printing material 纳晶科技股份有限公司 2019-05-28 CN disclosed
CN-108779067-A The preparation method of sulfoxide derivant 组合化学工业株式会社 2018-11-09 CN disclosed
US-9650456-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2017-05-16 US disclosed
US-9481645-B2 Composition, synthesis, and use of a new class of isonitriles DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2016-11-01 US disclosed
CN-105985774-A Nanocrystalline-ligand compound, preparation method of nanocrystalline-ligand compound, printing material and use of printing material 纳晶科技股份有限公司 2016-10-05 CN disclosed
EP-2825574-B1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORP (JP) 2016-02-24 EP disclosed
US-20150239835-A1 COMPOSITION, SYNTHESIS, AND USE OF A NEW CLASS OF ISONITRILES DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2015-08-27 US disclosed
WO-2015127226-A1 COMPOSITION, SYNTHESIS, AND USE OF A NEW CLASS OF ISONITRILES DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2015-08-27 WO disclosed
CN-1639302-A Process for the selective desulfurization of middle boiling range gasoline fractions CATALYTIC DISTILLATION TECH (US) 2005-07-13 CN disclosed
CN-1568144-A Iminobenzoxazines, iminobenzthiazines and iminoquinazolines for controlling invertebrate pests DU PONT (US) 2005-01-19 CN disclosed
CN-1231663-A Arthropodicidal and fungicidal cyclic amides DU PONT (US) 1999-10-13 CN disclosed
CN-1059720-A Radicicol derivatives, its preparation method and anti-tumor activity thereof SANKYO CO (JP) 1992-03-25 CN disclosed
US-4702822-A ORGANIC SULFIDE WITH ALKYL THIOCARBONATE, THIONACARBAMATEA, OR THIOPHOSPHATE THE DOW CHEMICAL COMPANY (US) 1987-10-27 US disclosed
US-4676890-A MIXTURE OF THIOALKYL AMINE AND HYDROCARBYL SULFIDES; SULFIDE ORES; PREFERENTIAL THE DOW CHEMICAL COMPANY (US) 1987-06-30 US disclosed
WO-1987003222-A1 COLLECTOR COMPOSITIONS FOR THE FROTH FLOTATION OF MINERAL VALUES THE DOW CHEMICAL COMPANY (US) 1987-06-04 WO disclosed
WO-1987000451-A1 NOVEL COLLECTOR COMPOSITION FOR FROTH FLOTATION THE DOW CHEMICAL COMPANY (US) 1987-01-29 WO disclosed
WO-1986006983-A1 NOVEL COLLECTORS FOR THE SELECTIVE FROTH FLOTATION OF SULFIDE MINERALS THE DOW CHEMICAL COMPANY (US) 1986-12-04 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 (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-20150239835-A1 COMPOSITION, SYNTHESIS, AND USE OF A NEW CLASS OF ISONITRILES CYP3A4, UGT1A4, INTS9 CES2 787/4885THRB 4064/4885GMNN 724/4885

“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.