SCHEMBL4628583

SCHEMBL4628583

CC(C)(C)OC(=O)c1ccc(Br)cc1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
GALR3 O60755 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP30 Q70CQ3 1/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL4628585 0.91 KDM4E (0.47) KDM4EGLAMYCNR4A1
SCHEMBL15920614 0.91 KDM4E (0.47) KDM4EGLAPTGDR2MYCNR4A1
Ethane SCHEMBL4639902 0.90 KDM4E (0.46) USP30KDM4EGLAMYCNR4A1
SCHEMBL6911127 0.89 TSHR (0.49) SMN1; SMN2ALDH1A1GABRA1GABRA3GABRB2
SCHEMBL4625811 0.88 CYP2C9 (0.37) CES2GALR3CYP1A2CYP2C9HPGD
SCHEMBL7860222 0.87 PTPN2 (0.50) CES2GALR3CYP1A2CYP2C9HPGD
SCHEMBL3842336 0.87 L3MBTL1 (0.41) CES2GALR3HPGDALOX15USP30
SCHEMBL1184775 0.86 CA12 (0.43) CES2GALR3CYP1A2CYP2C9HPGD
SCHEMBL277358 0.86 AAK1 (0.43) CYP2C9HPGDCYP2C19USP30NPC1
SCHEMBL8143660 0.86 HPGD (0.56) CES2GALR3CYP1A2CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150064111-A1 NOVEL TARGETING AGENTS FOR DIAGNOSTIC AND THERAPEUTIC INDICATIONS APOSENSE LTD. (IL) 2015-03-05 US disclosed
US-20150064111-A1 NOVEL TARGETING AGENTS FOR DIAGNOSTIC AND THERAPEUTIC INDICATIONS APOSENSE LTD. (IL) 2015-03-05 US disclosed
US-20150064111-A1 NOVEL TARGETING AGENTS FOR DIAGNOSTIC AND THERAPEUTIC INDICATIONS APOSENSE LTD. (IL) 2015-03-05 US disclosed
EP-2833877-A1 NOVEL TARGETING AGENTS FOR DIAGNOSTIC AND THERAPEUTIC INDICATIONS Aposense Ltd. (IL) 2015-02-11 EP disclosed
WO-2013150534-A1 NOVEL TARGETING AGENTS FOR DIAGNOSTIC AND THERAPEUTIC INDICATIONS APOSENSE LTD. (IL) 2013-10-10 WO disclosed
WO-2013150534-A1 NOVEL TARGETING AGENTS FOR DIAGNOSTIC AND THERAPEUTIC INDICATIONS APOSENSE LTD. (IL) 2013-10-10 WO disclosed
EP-1209172-B1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2008-07-02 EP disclosed
US-6878659-B2 Solid catalyst component for olefin polymerization and catalyst TOHO TITANIUM CO., LTD. (JP) 2005-04-12 US disclosed
US-20040072681-A1 Solid catalyst component for olefin polymerization and catalyst TOHO TITANIUM CO., LTD. (JP) 2004-04-15 US disclosed
EP-1260524-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST Toho Titanium Co., Ltd. (JP) 2002-11-27 EP disclosed
EP-0855400-B1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL IND LTD (JP) 2002-11-06 EP disclosed
US-5880309-A DIALKYL DIALKOXYCARBONYLPHENYL PHOSPHONATES USEFUL AS RESIN MODIFIERS PRODUCED AT HIGH YIELD AND LOW COST BY HEATING A TRIALKYL PHOSPHITE AND A DIALKOXYCARBONYLPHENYL HALIDE IN THE PRESENCE OF A PALLADIUM OR NICKEL CATALYST AND HYDROLYZING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
EP-0855400-A1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-07-29 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-20150064111-A1 NOVEL TARGETING AGENTS FOR DIAGNOSTIC AND THERAPEUTIC INDICATIONS VHL, TP53, DLD CES2 3060/4885GALR3 2178/4885CYP1A2 4494/4885

“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.