SCHEMBL449216

SCHEMBL449216

O=C1CC(=O)C2C3CCC(C3)C12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 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
SCHEMBL15828124 1.00 MEN1 (0.35) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL15393738 1.00 MEN1 (0.35) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL430115 1.00 MEN1 (0.35) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL450251 1.00 MEN1 (0.35) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL430135 0.88 MEN1 (0.34) MEN1KMT2A
SCHEMBL448968 0.88 MEN1 (0.34) MEN1KMT2A
SCHEMBL446437 0.88 MEN1 (0.34) MEN1KMT2A
SCHEMBL13497137 0.82 MEN1 (0.35) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL11539847 0.75 MEN1 (0.38) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL3427906 0.69 KMT2A (0.34) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309255-B2 Process of a quaternary ammonium salt SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-04-12 US disclosed
US-9123647-B2 Curable composition LG CHEM, LTD. (KR) 2015-09-01 US disclosed
US-20150087830-A1 PROCESS OF A QUATERNARY AMMONIUM SALT SUMITOMO DAINIPPON PHARMA CO., LTD 2015-03-26 US disclosed
US-8981095-B2 Intermediate compounds and process for the preparation of lurasidone and salts thereof MAPI PHARMA LTD. (IL) 2015-03-17 US disclosed
US-8921551-B2 Process of a quaternary ammonium salt SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-12-30 US disclosed
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-09-11 US disclosed
US-20140175333-A1 CURABLE COMPOSITION LG CHEM, LTD. (KR) 2014-06-26 US disclosed
US-20140179922-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF LURASIDONE AND SALTS THEREOF MAPI PHARMA LTD. (IL) 2014-06-26 US disclosed
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-01-30 US disclosed
US-8586737-B2 Process of a quaternary ammonium salt using phosphate DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-11-19 US disclosed
US-8524921-B2 Liquid tetracarboxylic dianhydrides and process for the preparation thereof HITACHI CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
EP-2429979-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2012-03-21 EP disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT DAINIPPON SUMITOMO PHARMA CO, LTD. (JP) 2011-10-27 US disclosed
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-10-27 US disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 WO disclosed
US-7452571-B2 Method of sealing semiconductor element mounted on gold-plated printed circuit board SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-11-18 US disclosed
US-20070104872-A1 METHOD OF SEALING SEMICONDUCTOR ELEMENT MOUNTED ON GOLD-PLATED PRINTED CIRCUIT BOARD SHIN -ETSU CHEMICAL CO., LTD. (JP) 2007-05-10 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 (7 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-20150087830-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 MEN1 3981/4885KMT2A 847/4885CYP1A2 3374/4885
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 MEN1 4045/4885KMT2A 1967/4885CYP1A2 3894/4885
US-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 MEN1 4280/4885KMT2A 674/4885CYP1A2 67/4885
US-20140179922-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF LURASIDONE AND SALTS THEREOF REN, AVPR1B, AVPR2 MEN1 2967/4885KMT2A 3029/4885CYP1A2 847/4885
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 MEN1 3981/4885KMT2A 847/4885CYP1A2 3374/4885
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 MEN1 4045/4885KMT2A 1967/4885CYP1A2 3894/4885
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE AGPS, SLC34A3, SLC34A1 MEN1 3682/4885KMT2A 1745/4885CYP1A2 3200/4885

“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.