Sugi Predict

Sugi Predict / Compounds / SCHEMBL1702872

SCHEMBL1702872

SCHEMBL1702872

CCOC(=O)C(CCCCCCBr)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ L3MBTL1 Q9Y468 5/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MAPK1 P28482 3/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ CPB2 Q96IY4 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TRPA1 O75762 1/20 0.40
▸ ZDHHC7 Q9NXF8 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ PTPN1 P18031 1/20 0.36

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
SCHEMBL10792134 1.00 TDP1 (0.47) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL9695685 1.00 TDP1 (0.47) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL9328294 1.00 TDP1 (0.47) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL9697656 1.00 TDP1 (0.47) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL1703436 1.00 TDP1 (0.47) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL4089564 1.00 TDP1 (0.47) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL550000 1.00 TDP1 (0.47) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL15727419 0.98 TDP1 (0.49) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL550001 0.92 TDP1 (0.45) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL27877640 0.92 TDP1 (0.45) TDP1KMT2AMEN1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087623-A Synthesis method of 8-bromoethyl octanoate 苏州昊帆生物股份有限公司 2021-07-09 — — CN claimed
CN-113087623-A Synthesis method of 8-bromoethyl octanoate 苏州昊帆生物股份有限公司 2021-07-09 — — CN disclosed
CN-113087623-A Synthesis method of 8-bromoethyl octanoate 苏州昊帆生物股份有限公司 2021-07-09 — — CN disclosed
CN-102503869-B 2-Hydroxylimine hydrocinnamamide ethanedithiol derivatives and application thereof UNIV SHENYANG PHARMACEUTICAL 2014-05-21 — — CN disclosed
EP-1448509-B1 Method of preparing phenoxy alkanoic acids and salts thereof via a dicarboxylate intermediate EMISPHERE TECH INC (US) 2012-12-19 — — EP disclosed
EP-1284724-B1 METHOD OF PREPARING ALKYLATED SALICYLAMIDES VIA A DICARBOXYLATE INTERMEDIATE EMISPHERE TECH INC (US) 2012-04-18 — — EP disclosed
CN-100516020-C Process for preparing phenoxyalkanoic, alkenoic, and alkynoic acids and salts thereof via a dicarboxylate intermediate EMISPHERE TECH INC (US) 2009-07-22 — — CN disclosed
US-7411084-B2 Method of preparing phenoxy alkanoic, alkenoic, and alkynoic acids and salts thereof via a dicarboxylate intermediate EMISPHERE TECHNOLOGIES, INC. (US) 2008-08-12 — — US disclosed
US-7411084-B2 Method of preparing phenoxy alkanoic, alkenoic, and alkynoic acids and salts thereof via a dicarboxylate intermediate EMISPHERE TECHNOLOGIES, INC. (US) 2008-08-12 — — US disclosed
EP-1284724-A4 METHOD OF PREPARING ALKYLATED SALICYLAMIDES VIA A DICARBOXYLATE INTERMEDIATE EMISPHERE TECH INC (US) 2007-10-17 — — EP disclosed
US-20030096992-A1 Method of preparing alkylated salicylamides via a dicarboxylate intermediate NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2003-05-22 — — US disclosed
WO-2003026582-A2 METHOD OF PREPARING PHENOXY ALKANOIC, ALKENOIC, AND ALKYNOIC ACIDS AND SALTS THEREOF VIA A DICARBOXYLATE INTERMEDIATE EMISPHERE TECHNOLOGIES INC. (US) 2003-04-03 — — WO disclosed
EP-1284724-A1 METHOD OF PREPARING ALKYLATED SALICYLAMIDES VIA A DICARBOXYLATE INTERMEDIATE Emisphere Technologies, Inc. (US) 2003-02-26 — — EP disclosed
WO-2001092206-A1 METHOD OF PREPARING SALICYLAMIDES EMISPHERE TECHNOLOGIES, INC. (US) 2001-12-06 — — WO disclosed
WO-2001070219-A1 METHOD OF PREPARING ALKYLATED SALICYLAMIDES VIA A DICARBOXYLATE INTERMEDIATE EMISPHERE TECHNOLOGIES, INC. (US) 2001-09-27 — — WO disclosed
US-5496670-A POLYESTER WITH SIDE CHAINS CONVERTED INTO ANISOTROPIC PHASE BY RADIATION WITH LIGHT RISO NATIONAL LABORATORY (DK) 1996-03-05 — — US disclosed
EP-0422538-B1 Malonic acid dyestuffs and products of their polycondensation BASF AG (DE) 1994-03-09 — — EP disclosed
US-5207952-A Polyesters with pendant side chains UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 1993-05-04 — — US disclosed
US-5162545-A Liquid crystals; laser optical writing; optical recording media BASF AKTIENGESELLSCHAFT (DE) 1992-11-10 — — US disclosed
EP-0422538-A1 Malonic acid dyestuffs and products of their polycondensation BASF Aktiengesellschaft (DE) 1991-04-17 — — 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-20030096992-A1 Method of preparing alkylated salicylamides via a dicarboxylate intermediate ADSL, AADAC, SLC16A7 TDP1 2411/4885KMT2A 2293/4885MEN1 2971/4885

“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.