SCHEMBL5488346

SCHEMBL5488346

O=C(OC(=O)c1cccc(Br)c1)c1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.61
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
CYP1A2 P05177 1/20 0.56
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 1/20 0.51
PTPN1 P18031 2/20 0.50
C1S P09871 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL5488350 0.94 SMN1; SMN2 (0.61) PARP1HPGDSMN1; SMN2GAANFKB1
SCHEMBL27597152 0.88 PARP1 (0.53) PARP1HPGDSMN1; SMN2GAANFKB1
SCHEMBL7655031 0.87 PARP1 (0.61) PARP1HPGDSMN1; SMN2GAANFKB1
SCHEMBL247378 0.85 PARP1 (0.64) PARP1HPGDSMN1; SMN2GAANFKB1
SCHEMBL28681117 0.84 SMN1; SMN2 (0.64) PARP1HPGDSMN1; SMN2GAANFKB1
SCHEMBL8674123 0.83 MEN1 (0.59) GAACYP1A2ALDH1A1TP53TSHR
SCHEMBL514262 0.83 PARP1 (0.57) PARP1HPGDSMN1; SMN2GAANFKB1
SCHEMBL29818019 0.83 KDM4E (0.59) PARP1HPGDSMN1; SMN2GAANFKB1
SCHEMBL27030553 0.83 PARP1 (0.62) PARP1HPGDSMN1; SMN2GAANFKB1
SCHEMBL145700 0.83 KDM4E (0.59) PARP1HPGDSMN1; SMN2GAANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114995060-B Negative photosensitive resin composition capable of being cured at low temperature and preparation method and application thereof 明士(北京)新材料开发有限公司 2022-11-01 CN claimed
CN-114995060-A Negative photosensitive resin composition capable of being cured at low temperature and preparation method and application thereof 明士(北京)新材料开发有限公司 2022-09-02 CN claimed
CN-110698659-B Phthalic anhydride polyester polyol and preparation method thereof 万华化学集团股份有限公司 2022-04-22 CN claimed
CN-114230792-A Positive photosensitive polyimide resin, resin composition, and preparation method and application thereof 明士(北京)新材料开发有限公司 2022-03-25 CN claimed
CN-112745492-A Polyester polyol for polyurethane hot melt adhesive and preparation method and application thereof 万华化学集团股份有限公司 2021-05-04 CN claimed
CN-111635526-B Polyether imide polymer containing carboxyl side group and preparation method and application thereof 吉林大学 2021-03-23 CN claimed
CN-111635526-A Polyether imide polymer containing carboxyl side group and preparation method and application thereof 吉林大学 2020-09-08 CN claimed
CN-110951076-A Hyperbranched polyetherimide and preparation and application thereof 北京化工大学 2020-04-03 CN claimed
CN-110698659-A Phthalic anhydride polyester polyol and preparation method thereof 万华化学集团股份有限公司 2020-01-17 CN claimed
US-7247740-B2 Reacting perfluoroalkanesulfonic acid directly with dialkyl carbonate to give alkyl perfluoroalkanesulfonate optionally in the presence of a water or alcohol consuming reagent, and preparing an alkyl perfluoroalkanesulfonate with an alkylamine or alkylphosphine to prepare perfluoroalkanesulfonic acid MERCK PATENT GMBH (DE) 2007-07-24 US claimed
EP-1472217-B1 METHOD FOR PRODUCING PERFLUOROALKANE SULFONIC ACID ESTERS AND THE SALTS THEREOF MERCK PATENT GMBH (DE) 2007-01-24 EP claimed
US-20050085655-A1 Reacting perfluoroalkanesulfonic acid directly with dialkyl carbonate to give alkyl perfluoroalkanesulfonate optionally in the presence of a water or alcohol consuming reagent, and preparing an alkyl perfluoroalkanesulfonate with an alkylamine or alkylphosphine to prepare perfluoroalkanesulfonic acid MERCK PATENT GMBH (DE) 2005-04-21 US claimed
CN-114995060-B Negative photosensitive resin composition capable of being cured at low temperature and preparation method and application thereof 明士(北京)新材料开发有限公司 2022-11-01 CN disclosed
CN-115236938-A Negative photosensitive polyamic acid ester resin composition and use thereof 明士(北京)新材料开发有限公司 2022-10-25 CN disclosed
CN-114995060-A Negative photosensitive resin composition capable of being cured at low temperature and preparation method and application thereof 明士(北京)新材料开发有限公司 2022-09-02 CN disclosed
CN-110698659-B Phthalic anhydride polyester polyol and preparation method thereof 万华化学集团股份有限公司 2022-04-22 CN disclosed
US-4018787-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-04-19 US disclosed
US-4006009-A 1-Thiadiazolyl-6-acyloxytetrahydropyrimidinone herbicides VELSICOL CHEMICAL CORPORATION (US) 1977-02-01 US disclosed
US-4004912-A 1-Thiadiazolyl-6-acyloxytetrahydropyrimidinone herbicides VELSICOL CHEMICAL CORPORATION (US) 1977-01-25 US disclosed
US-3970671-A XANTHENE, PRESSURE SENSITIVE KANZAKI PAPER MANUFACTURING CO., LTD. (JA) 1976-07-20 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 (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-20050085655-A1 Reacting perfluoroalkanesulfonic acid directly with dialkyl carbonate to give alkyl perfluoroalkanesulfonate optionally in the presence of a water or alcohol consuming reagent, and preparing an alkyl perfluoroalkanesulfonate with an alkylamine or alkylphosphine to prepare perfluoroalkanesulfonic acid PFKFB2, PFKFB3, PHOSPHO1 PARP1 1050/4885HPGD 3924/4885SMN1; SMN2 4651/4885

“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.