SCHEMBL367935

SCHEMBL367935

O=C(c1ccccc1)C(O)c1cccc(OOCl)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.57
LMNA P02545 3/20 0.57
CES1 P23141 2/20 0.57
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS1 P23219 1/20 0.40
CYP3A4 P08684 1/20 0.39
AKR1C3 P42330 1/20 0.38
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL367936 0.91 CES2 (0.57) CES2LMNACES1ALDH1A1KDM4E
SCHEMBL10794852 0.86 CES2 (0.68) CES2LMNACES1ALDH1A1KDM4E
SCHEMBL10794860 0.84 LMNA (0.65) CES2LMNACES1ALDH1A1KDM4E
SCHEMBL8622126 0.82 CES2 (0.61) CES2LMNACES1L3MBTL1MEN1
SCHEMBL8622986 0.78 CES2 (0.56) CES2LMNACES1MAPK1KMT2A
Benzoin SCHEMBL27506275 0.77 CES2 (0.95) CES2LMNACES1ALDH1A1KDM4E
Benzoin SCHEMBL23361760 0.76 LMNA (0.78) CES2LMNACES1ALDH1A1KDM4E
SCHEMBL11605858 0.76 LMNA (0.71) CES2LMNACES1ALDH1A1KDM4E
Benzoin SCHEMBL183095 0.76 LMNA (0.78) CES2LMNACES1ALDH1A1KDM4E
Benzoin SCHEMBL10812565 0.76 CES2 (0.84) CES2LMNACES1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116256214-A Method for purifying, separating and preparing saturated hydrocarbon mineral oil and aromatic hydrocarbon mineral oil on line 北京市科学技术研究院分析测试研究所(北京市理化分析测试中心) 2023-06-13 CN claimed
CN-115304659-A Valactamide A and synthesis method of diastereoisomer 北京大学深圳研究生院 2022-11-08 CN claimed
CN-106673988-B Benzyl subunit cyclohexenone derivative and preparation method and medical application thereof 南通大学 2020-04-10 CN claimed
US-20190002597-A1 PROCESS FOR EPOXIDATION OF UNSATURATED POLYMER ARLANXEO SINGAPORE PTE. LTD. (SG) 2019-01-03 US claimed
CN-105646300-B A kind of preparation method of the 2 pungent naphthoquinones of sulfoxide 1,4 黑龙江八农垦大学 2017-11-10 CN claimed
CN-104497086-A Androstane-3beta, 5alpha, 6beta,19-tetraol as well as preparation method and application thereof UNIV SUN YAT SEN 2015-04-08 CN claimed
US-20240238305-A1 FORMULATIONS OF 3-((3-(4-(2-(ISOBUTYLSULFONYL)PHENOXY)-3-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOL-5-YL)METHYL)-5,5-DIMETHYL-1-(2-MORPHOLINOETHYL)IMIDAZOLIDINE-2,4-DIONE NOVARTIS AG (CH) 2024-07-18 US disclosed
EP-4397664-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND AND PREPARATION METHOD AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-07-10 EP disclosed
EP-4005568-B1 SGLTS/DPP4 INHIBITOR AND APPLICATION THEREOF DONGBAO PURPLE STAR HANGZHOU BIOPHARMACEUTICAL CO LTD (CN) 2024-07-10 EP disclosed
EP-3712150-B1 MACROCYCLIC COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATIONS THEREOF WUXI BIOCITY BIOPHARMACEUTICS CO LTD (CN) 2024-06-12 EP disclosed
EP-4353309-A1 PHENYL UREA DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2024-04-17 EP disclosed
EP-4349828-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Yingli Pharmaceutical Co. Ltd. (CN) 2024-04-10 EP disclosed
CN-117567379-A Preparation method of 2- (1-piperazinyl) pyrimidine 扬州市普林斯医药科技有限公司 2024-02-20 CN disclosed
CN-85108556-A The preparation method of novel benzoxazol base and benzothiazolyl amino derivative and application thereof 1986-07-30 CN disclosed
US-4569690-A HERBICIDES, FUNGICIDES, PLANT DESSICANTS, DEFOLIANTS UNIROYAL, INC. (US) 1986-02-11 US disclosed
EP-0170105-A2 Benzoic acid derivatives Shudo, Koichi, Prof. Dr. (JP) 1986-02-05 EP disclosed
EP-0110280-A1 Process for the production of penem compounds SCHERING CORPORATION (US) 1984-06-13 EP disclosed
EP-0104940-A1 3-Aryl-5,6-dihydro-1,4,2-oxathiazines and their oxides UNIROYAL, INC. (US) 1984-04-04 EP disclosed
US-4397784-A AMINO ACID DERIVATIVE ANTIBIOTICS ABBOTT LABORATORIES (US) 1983-08-09 US disclosed
US-4126573-A DIPEROXYAZELAIC ACID OR DIPEROXYDODECANEDIOIC ACID PARTICLES COATED WITH A SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 1978-11-21 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-20240238305-A1 FORMULATIONS OF 3-((3-(4-(2-(ISOBUTYLSULFONYL)PHENOXY)-3-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOL-5-YL)METHYL)-5,5-DIMETHYL-1-(2-MORPHOLINOETHYL)IMIDAZOLIDINE-2,4-DIONE MGST1, MGAT3, DMPK CES2 4878/4885LMNA 4283/4885CES1 3611/4885

“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.