SCHEMBL964304

SCHEMBL964304

O=C(Br)c1ccc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.68
CES1 P23141 1/20 0.68
PTPN1 P18031 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
EGFR P00533 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
JAK1 P23458 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL29962905 1.00 CES2 (0.68) CES2CES1PTPN1SMN1; SMN2KDM4E
SCHEMBL8758649 0.91 CES2 (0.52) CES2CES1PTPN1SMN1; SMN2KDM4E
SCHEMBL22832318 0.88 CES2 (0.50) CES2CES1PTPN1SMN1; SMN2KDM4E
SCHEMBL29600051 0.88 CES2 (0.50) CES2CES1PTPN1SMN1; SMN2KDM4E
SCHEMBL22832278 0.86 LCK (0.48) CES2CES1PTPN1SMN1; SMN2KDM4E
SCHEMBL29860949 0.86 LCK (0.48) CES2CES1PTPN1SMN1; SMN2KDM4E
SCHEMBL31032483 0.81 CES2 (1.00) CES2CES1PTPN1SMN1; SMN2KDM4E
SCHEMBL941698 0.81 CES2 (0.74) CES2CES1PTPN1SMN1; SMN2KDM4E
SCHEMBL7220072 0.81 CES2 (1.00) CES2CES1PTPN1SMN1; SMN2KDM4E
SCHEMBL30250451 0.81 CES2 (0.74) CES2CES1PTPN1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024725-A Curable composition, cured product, (meth) acrylic resin, and compound 东京应化工业株式会社 2021-06-25 CN disclosed
CN-113031399-A Resin composition, cured product, and siloxane-modified (meth) acrylic resin 东京应化工业株式会社 2021-06-25 CN disclosed
WO-2016202894-A1 METHOD OF CONVERTING ALCOHOL TO HALIDE UNIVERSITAET DES SAARLANDES (DE) 2016-12-22 WO disclosed
CN-103833723-B The manufacture method of cyclic sulfonic acid ester and intermediate thereof 和光纯药工业株式会社 2016-08-17 CN disclosed
EP-2757102-B1 Intermediate for producing a cyclic sulfonic acid ester WAKO PURE CHEM IND LTD (JP) 2016-03-23 EP disclosed
US-8969591-B2 Method for producing cyclic sulfonic acid ester and intermediate thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-03-03 US disclosed
EP-2463281-B1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEM IND LTD (JP) 2014-10-22 EP disclosed
EP-2757102-A1 1,3-propanesultone derivative useful in the preparation of a 1,3-propenesultone derivative Wako Pure Chemical Industries, Ltd. (JP) 2014-07-23 EP disclosed
CN-103833723-A METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEM IND LTD 2014-06-04 CN disclosed
US-20140142324-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-22 US disclosed
US-20110021739-A1 POLYCARBONATE RESIN MITSUBISHI CHEMICAL CORPORATION (JP) 2011-01-27 US disclosed
EP-2011810-A1 POLYCARBONATE RESIN Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed
EP-1066304-A1 MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2001-01-10 EP disclosed
WO-1999050275-A2 MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1999-10-07 WO disclosed
EP-0470177-A1 FUNGICIDAL OXIME CARBAMATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-02-12 EP disclosed
WO-1991016299-A1 FUNGICIDAL OXIME CARBAMATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-31 WO disclosed
CN-1047279-A Germ-resistant oxime carbamates DU PONT (US) 1990-11-28 CN disclosed
EP-0397345-A1 Fungicidal oxime carbamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-11-14 EP disclosed
WO-1990012784-A1 FUNGICIDAL OXIME CARBAMATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-11-01 WO disclosed
EP-0002872-A1 Process for preparing acylated esters of hydroxy carboxylates THE PROCTER & GAMBLE COMPANY (US) 1979-07-11 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 (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-20140142324-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF STS, TST, SULT1A1 CES2 540/4885CES1 153/4885PTPN1 4490/4885

“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.