SCHEMBL4501007

SCHEMBL4501007

COC(=O)c1ccc2cc(C=O)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
PTPN11 Q06124 2/20 0.54
LCK P06239 1/20 0.51
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 1/20 0.49
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
PTPN1 P18031 1/20 0.47
HTT P42858 3/20 0.46
ALOX15 P16050 2/20 0.46
HGFAC Q04756 1/20 0.46
PLAU P00749 1/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45

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
SCHEMBL3143490 0.95 ALDH1A1 (0.66) ALDH1A1PTPN11LCKCA1CA2
SCHEMBL69025 0.85 PTPN11 (0.68) ALDH1A1PTPN11LCKCA1CA2
SCHEMBL29365729 0.85 PTPN11 (0.68) ALDH1A1PTPN11LCKCA1CA2
SCHEMBL4590567 0.85 PTPN11 (0.53) ALDH1A1PTPN11LCKCA1CA2
SCHEMBL13395884 0.84 ALDH1A1 (0.51) ALDH1A1PTPN11LCKCA1CA2
SCHEMBL8732524 0.83 PTPN11 (0.66) ALDH1A1PTPN11LCKCA1CA2
SCHEMBL12942158 0.83 PARP10 (0.45) ALDH1A1PTPN11LCKPLAULMNA
SCHEMBL9921935 0.82 CA12 (0.53) ALDH1A1PTPN11CA1CA2CA12
SCHEMBL79533 0.81 ALDH1A1 (1.00) ALDH1A1CA1CA2CA12CA7
SCHEMBL9979782 0.81 PTPN11 (0.64) ALDH1A1PTPN11LCKCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10101780-A None JP disclosed
CN-113842665-A Leaching tower, system and method for purifying ester compounds 中国石油化工股份有限公司 2021-12-28 CN disclosed
WO-2021087061-A2 CRYSTALLIZABLE RESINS ALIGN TECHNOLOGY, INC. (US) 2021-05-06 WO disclosed
EP-2688568-B1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-06-19 EP disclosed
US-10064854-B2 Cyclopropylamines as LSD1 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-09-04 US disclosed
US-20180000805-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-01-04 US disclosed
US-9795597-B2 Cyclopropylamines as LSD1 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-10-24 US disclosed
US-20160220547-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-08-04 US disclosed
US-9346840-B2 Cyclopropylamines as LSD1 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-05-24 US disclosed
US-20140371176-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-12-18 US disclosed
EP-1019357-A1 PROCESS FOR THE PURIFICATION OF NAPHTHALENEDICARBOXYLIC ACID EASTMAN CHEMICAL COMPANY (US) 2000-07-19 EP disclosed
US-6013831-A ESTERIFYING 2,6-NAPHTHALENEDICARBOXYLIC ACID OBTAINED BY LIQUID PHASE OXIDATION OF 2,6-DIALKYLNAPHTHALENE WITH MOLECULAR OXYGEN IN THE PRESENCE OF A RECOVERABLE OXIDATION CATALYST; CONTINUOUS SUPPLY OF METHANOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-01-11 US disclosed
WO-1999018062-A1 PROCESS FOR THE PURIFICATION OF NAPHTHALENEDICARBOXYLIC ACID EASTMAN CHEMICAL COMPANY (US) 1999-04-15 WO disclosed
EP-0877012-A2 Process for the production of high-purity dimethyl 2,6-naphthalenedicarboxylate and naphthalenedicarboxylic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-11-11 EP disclosed
US-5776365-A COMPOUNDS WITH OPTICAL ACTIVITY AND SWITCHES FOR CONTRAST MITSUI CHEMICALS, INC. (JP) 1998-07-07 US disclosed
JP-H10101780-A PRODUCTION OF POLYETHYLENE 2,6-NAPHTHALATE, POLYETHYLENE 2,6-NAPHTHALATE, AND SUPPORT FOR SILVER HALIDE PHOTOGRAPHIC FILM FUJI PHOTO FILM CO LTD 1998-04-21 JP disclosed
US-5725798-A CARBOXYLIC ESTERS FOR ELECTRICAL APPARATUS, SWITCHES AND CONTRAST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-03-10 US disclosed
US-4734406-A 3-pyridylmethylnaphthyl derivatives and composition containing them useful to inhibit thromboxane synthetase HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-29 US disclosed
US-4518609-A ANTITUMOR, SKIN DISORDERS SRI INTERNATIONAL (US) 1985-05-21 US disclosed
US-4456618-A ANTITUMOR AGENTS, TREATMENT OF SKIN DISORDERS SRI INTERNATIONAL (US) 1984-06-26 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 (4 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-10064854-B2 Cyclopropylamines as LSD1 inhibitors KDM1B, KDM1A, KDM3B ALDH1A1 554/4885PTPN11 3378/4885LCK 425/4885
US-20160220547-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM3B ALDH1A1 554/4885PTPN11 3378/4885LCK 425/4885
US-20180000805-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM3B ALDH1A1 554/4885PTPN11 3378/4885LCK 425/4885
US-20140371176-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM3B ALDH1A1 554/4885PTPN11 3378/4885LCK 425/4885

“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.