SCHEMBL955235

SCHEMBL955235

O=C(Cl)CC/C=C/CCC(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
PPARG P37231 4/20 0.37
MAPT P10636 3/20 0.37
CYP19A1 P11511 2/20 0.37
FFAR1 O14842 1/20 0.37
RXRA P19793 1/20 0.37
OXER1 Q8TDS5 1/20 0.37
FAAH O00519 3/20 0.32
TERT O14746 3/20 0.31
PTPN1 P18031 3/20 0.31
PPARD Q03181 3/20 0.31
PPARA Q07869 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
BLM P54132 2/20 0.31
HSD17B10 Q99714 2/20 0.31
FABP4 P15090 2/20 0.31
F7 P08709 2/20 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
SCHEMBL2267034 1.00 TSHR (0.45) TSHRALDH1A1TP53PPARGMAPT
SCHEMBL10669112 0.89 PPARG (0.52) ALDH1A1PPARGMAPTCYP19A1FFAR1
SCHEMBL10870024 0.89 PPARG (0.52) ALDH1A1PPARGMAPTCYP19A1FFAR1
SCHEMBL13749756 0.87
SCHEMBL1905028 0.85
SCHEMBL666560 0.85
SCHEMBL666559 0.85
SCHEMBL20630930 0.83 TSHR (0.38) TSHRALDH1A1TP53
SCHEMBL28393723 0.81 ALDH1A1 (0.50) TSHRALDH1A1TP53PPARGMAPT
SCHEMBL4814932 0.81 ALDH1A1 (0.67) TSHRALDH1A1PPARGMAPTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872137-B2 coupling of N-3-hydroxypropyl-1-(R)-5'-methoxylaudanosinium chloride with (E)-4-octene-1,8-dioic acid dichloride, in a solvent(dichloromethane), to obtain raw mivacurium chloride, water extraction of raw product, treatment with amberlite\" (tradename) absorbent resin, recovery of 97.5% pure product FARMABIOS S.P.A. (IT) 2011-01-18 US claimed
US-20070293534-A1 Process for the preparation of mivacurium chloride FARMABIOS S.P.A. 2007-12-20 US claimed
CN-110698398-B Purification method of mikui ammonium chloride 武汉嘉诺康医药技术有限公司 2021-08-03 CN disclosed
CN-110698398-A Purification method of mikui ammonium chloride 武汉嘉诺康医药技术有限公司 2020-01-17 CN disclosed
EP-2651917-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
US-20130266590-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-10-10 US disclosed
US-8445440-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2013-05-21 US disclosed
WO-2013021398-A2 A PROCESS FOR PREPARATION OF MIVACURIUM CHLORIDE SEQUENT SCIENTIFIC LIMITED (IN) 2013-02-14 WO disclosed
WO-2013021398-A2 A PROCESS FOR PREPARATION OF MIVACURIUM CHLORIDE SEQUENT SCIENTIFIC LIMITED (IN) 2013-02-14 WO disclosed
EP-2539333-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-01-02 EP disclosed
WO-2012080260-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO disclosed
US-20110206690-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-08-25 US disclosed
US-7872137-B2 coupling of N-3-hydroxypropyl-1-(R)-5'-methoxylaudanosinium chloride with (E)-4-octene-1,8-dioic acid dichloride, in a solvent(dichloromethane), to obtain raw mivacurium chloride, water extraction of raw product, treatment with amberlite\" (tradename) absorbent resin, recovery of 97.5% pure product FARMABIOS S.P.A. (IT) 2011-01-18 US disclosed
US-7872137-B2 coupling of N-3-hydroxypropyl-1-(R)-5'-methoxylaudanosinium chloride with (E)-4-octene-1,8-dioic acid dichloride, in a solvent(dichloromethane), to obtain raw mivacurium chloride, water extraction of raw product, treatment with amberlite\" (tradename) absorbent resin, recovery of 97.5% pure product FARMABIOS S.P.A. (IT) 2011-01-18 US disclosed
US-7872137-B2 coupling of N-3-hydroxypropyl-1-(R)-5'-methoxylaudanosinium chloride with (E)-4-octene-1,8-dioic acid dichloride, in a solvent(dichloromethane), to obtain raw mivacurium chloride, water extraction of raw product, treatment with amberlite\" (tradename) absorbent resin, recovery of 97.5% pure product FARMABIOS S.P.A. (IT) 2011-01-18 US disclosed
US-20070293534-A1 Process for the preparation of mivacurium chloride FARMABIOS S.P.A. 2007-12-20 US disclosed
US-20070293534-A1 Process for the preparation of mivacurium chloride FARMABIOS S.P.A. 2007-12-20 US disclosed
US-20070293534-A1 Process for the preparation of mivacurium chloride FARMABIOS S.P.A. 2007-12-20 US disclosed
US-4761418-A NEUROMUSCULAR BLOCKING AGENTS BURROUGHS WELLCOME CO. (US) 1988-08-02 US disclosed
EP-0181055-A1 Bis-dimethoxymethyl (trimethoxybenzyl)isoquinolinium salts, their preparation and pharmaceutical compositions containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-05-14 EP 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 (3 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-20130266590-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 TSHR 4621/4885ALDH1A1 4312/4885TP53 78/4885
US-20070293534-A1 Process for the preparation of mivacurium chloride CHRNE, CHRNA9, CHRNB4 TSHR 1480/4885ALDH1A1 3029/4885TP53 4870/4885
US-20110206690-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 TSHR 4630/4885ALDH1A1 4127/4885TP53 95/4885

“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.