SCHEMBL3558191

SCHEMBL3558191

C[Si](C)(C)CCOC(=O)NN

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.36
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX1 P07099 1/20 0.31

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
Hydrazine SCHEMBL5719663 0.96 ACHE (0.34) ACHECHRM2CHRM4CHRM5CYP2D6
SCHEMBL7523913 0.80 ACHE (0.38) ACHECHRM2CHRM4CHRM5CYP2D6
SCHEMBL11924487 0.80 CHRNB2 (0.52) ACHECHRM2CHRM4CHRM5CYP2D6
SCHEMBL22898364 0.79 ACHE (0.38) ACHECHRNB2CHRNA4
Water SCHEMBL5719666 0.79 ACHE (0.32) ACHE
SCHEMBL24735973 0.78 ACHE (0.41) ACHECHRNB2CHRNA4
SCHEMBL5031468 0.78 CHRNB2 (0.50) ACHECHRNB2CHRNA4SMN1; SMN2
SCHEMBL28538773 0.78 ACHE (0.36) ACHECHRM2CHRM4CHRM5CYP2D6
SCHEMBL10113926 0.78 ACHE (0.41) ACHECHRM2CHRM4CHRM5CYP2D6
SCHEMBL6946858 0.78 ACHE (0.46) ACHECHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
CN-106414473-B Polyene macrolide derivatives 盐野义制药株式会社 2020-03-13 CN disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 US disclosed
US-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
CN-108778289-A TRITERPENE SAPONIN ANALOGUES 佐剂技术公司 2018-11-09 CN disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 EP disclosed
CN-106573951-A Micro saponin analogue, synthesis and use thereof 索隆-基特林癌症研究协会 2017-04-19 CN disclosed
CN-106414473-A Polyene macrolide derivative 盐野义制药株式会社 2017-02-15 CN disclosed
WO-2016120808-A1 HETEROARYLAMINOISOQUINOLINES, METHODS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF MINORYX THERAPEUTICS S.L. (ES) 2016-08-04 WO disclosed
US-6545108-B1 Ti, Zr, Hf, Cr, Mo, W, V, Nb, or Ta complex of a monodentate dianionic ligand in which a nitrogen atom is substituted by a 1-pyrrolyl and the remaining donor atoms are N, P, As, O, S, or Se EASTMAN CHEMICAL COMPANY 2003-04-08 US disclosed
EP-1290048-A2 COPOLYMERIZATION OF NORBORNENE AND FUNCTIONAL NORBORNENE MONOMERS EASTMAN CHEMICAL COMPANY (US) 2003-03-12 EP disclosed
EP-1278784-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2003-01-29 EP disclosed
US-20030013894-A1 Process for the preparation of ligands for olefin polymerization catalysts E. I. DU PONT DE NEMOURS AND COMPANY 2003-01-16 US disclosed
WO-2002036585-A2 PROCESS FOR THE PREPARATION OF LIGANDS FOR OLEFIN POLYMERIZATION CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2002-05-10 WO disclosed
CN-1347423-A Catalyst contg. N-pyrrolyl substd. nitrogen donors EASTMAN CHEM CO (US) 2002-05-01 CN disclosed
EP-1192189-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2002-04-03 EP disclosed
WO-2001096406-A2 COPOLYMERIZATION OF NORBORNENE AND FUNCTIONAL NORBORNENE MONOMERS EASTMAN CHEMICAL COMPANY (US) 2001-12-20 WO disclosed
WO-2001083571-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2001-11-08 WO disclosed
WO-2000050470-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2000-08-31 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 (5 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-20030013894-A1 Process for the preparation of ligands for olefin polymerization catalysts OCIAD1, OXER1, SULT1E1 ACHE 2122/4885CHRM2 962/4885CHRM4 430/4885
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 ACHE 4396/4885CHRM2 4812/4885CHRM4 4338/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 ACHE 4396/4885CHRM2 4812/4885CHRM4 4338/4885
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 ACHE 4396/4885CHRM2 4812/4885CHRM4 4338/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 ACHE 4396/4885CHRM2 4812/4885CHRM4 4338/4885

“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.