SCHEMBL1022658

SCHEMBL1022658

COC(=O)c1ccc(CBr)cc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
GAA P10253 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
HSD17B10 Q99714 3/20 0.53
HPGD P15428 2/20 0.53
TSHR P16473 2/20 0.53
ALOX15 P16050 1/20 0.53
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
HTT P42858 2/20 0.47
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA1 P00915 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46

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
SCHEMBL29943277 1.00 ALDH1A1 (0.53) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL10424450 0.91 ALDH1A1 (0.49) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL27523349 0.86 GAA (0.50) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL4686032 0.86 ALDH1A1 (0.46) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL1754056 0.86 ALDH1A1 (0.46) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL365955 0.86 CYP4A11 (0.49) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL5058622 0.86 CA12 (0.61) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL603667 0.86 ALDH1A1 (0.50) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL29775267 0.86 ALDH1A1 (0.46) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL1636594 0.86 ALDH1A1 (0.50) ALDH1A1GAAKDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814847-B1 NOVEL METHOD FOR PREPARING 3-[5'-(3,4-BIS-HYDROXYMETHYL-BENZYLOXY)-2'- ETHYL-2-PROPYL-BIPHENYL-4-YL]-PENTA-3-OL GALDERMA RES & DEV (FR) 2011-01-12 EP claimed
US-7638657-B2 Preparation of 3-[5′-(3,4-bis(hydroxymethyl)benzyloxy)-2′-ethyl-2-propylbiphenyl-4-yl]pentan-3-ol GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-29 US claimed
US-20070282136-A1 Preparation of 3-[5'-(3,4-bis(hydroxymethyl)benzyloxy)-2'-ethyl-2-propylbiphenyl-4-yl]pentan-3-ol GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-06 US claimed
CN-116003770-A Perfluoro polyether phosphate compound and preparation method and application thereof 湖南柯盛新材料有限公司 2023-04-25 CN disclosed
WO-2022268066-A1 PROTEIN DEGRADATION AGENT 苏州开拓药业股份有限公司 2022-12-29 WO disclosed
EP-4051674-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-09-07 EP disclosed
CN-114728936-A Bifunctional compounds for the treatment of cancer 豪夫迈·罗氏有限公司 2022-07-08 CN disclosed
WO-2021083949-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2021-05-06 WO disclosed
US-10449168-B2 Potent phthalate inhibitors of aspartate N-acetyltransferase and selective aspartate pathway inhibitors THE UNIVERSITY OF TOLEDO (US) 2019-10-22 US disclosed
US-20180250252-A1 POTENT PHTHALATE INHIBITORS OF ASPARTATE N-ACETYLTRANSFERASE AND SELECTIVE ASPARTATE PATHWAY INHIBITORS THE UNIVERSITY OF TOLEDO (US) 2018-09-06 US disclosed
WO-2017040376-A1 POTENT PHTHALATE INHIBITORS OF ASPARTATE N-ACETYLTRANSFERASE AND SELECTIVE ASPARTATE PATHWAY INHIBITORS THE UNIVERSITY OF TOLEDO (US) 2017-03-09 WO disclosed
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed
EP-0369733-B1 Fluorescent indicator dyes for alkali metal cations, their preparation and use UNIV CALIFORNIA (US) 1996-02-21 EP disclosed
US-5134232-A Diagnosis; concentration in blood THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-07-28 US disclosed
EP-0369733-A2 Fluorescent indicator dyes for alkali metal cations, their preparation and use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-05-23 EP disclosed
US-4753962-A HYPOGLYCEMIC, ANTIOBESITY AGENT BEECHAM GROUP P.L.C. (GB) 1988-06-28 US disclosed
US-4654371-A ANTI-OBESITY, HYPOGLYCEMIA AGENTS BEECHAM GROUP P.L.C. (GB) 1987-03-31 US disclosed
US-4478849-A HYPERGLYCEMIC AGENTS BEECHAM GROUP LIMITED (GB) 1984-10-23 US disclosed
EP-0006735-B1 SECONDARY AMINES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE BEECHAM GROUP PLC (GB) 1983-06-15 EP disclosed
EP-0006735-A1 Secondary amines, their preparation, pharmaceutical compositions containing them and their use BEECHAM GROUP PLC (GB) 1980-01-09 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 (3 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-10449168-B2 Potent phthalate inhibitors of aspartate N-acetyltransferase and selective aspartate pathway inhibitors NAT1, SAT1, NAALAD2 ALDH1A1 104/4885GAA 343/4885KDM4E 2034/4885
US-20180250252-A1 POTENT PHTHALATE INHIBITORS OF ASPARTATE N-ACETYLTRANSFERASE AND SELECTIVE ASPARTATE PATHWAY INHIBITORS NAT1, SAT1, NAALAD2 ALDH1A1 104/4885GAA 343/4885KDM4E 2034/4885
US-20070282136-A1 Preparation of 3-[5'-(3,4-bis(hydroxymethyl)benzyloxy)-2'-ethyl-2-propylbiphenyl-4-yl]pentan-3-ol PARP2, CYP4B1, CYP8B1 ALDH1A1 550/4885GAA 3624/4885KDM4E 1198/4885

“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.