SCHEMBL78535

SCHEMBL78535

CCCC(=O)OC[C@H]1CO1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
NLRP3 Q96P20 1/20 0.50
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MGLL Q99685 3/20 0.47

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
SCHEMBL57588 1.00 ALDH1A1 (0.52) ALDH1A1NLRP3LMNAPOLBTP53
SCHEMBL78536 1.00 ALDH1A1 (0.52) ALDH1A1NLRP3LMNAPOLBTP53
Water SCHEMBL28213494 0.98 ALDH1A1 (0.50) ALDH1A1NLRP3LMNAPOLBTP53
SCHEMBL28191220 0.98 ALDH1A1 (0.50) ALDH1A1NLRP3LMNAPOLBTP53
Methane SCHEMBL6359900 0.98 ALDH1A1 (0.50) ALDH1A1NLRP3LMNAPOLBTP53
Bicarbonate SCHEMBL29739743 0.96 ALDH1A1 (0.49) ALDH1A1NLRP3MGLL
Cyclohexane SCHEMBL6354277 0.96 ALDH1A1 (0.49) ALDH1A1NLRP3LMNAPOLBTP53
Benzene SCHEMBL28778902 0.94 MGLL (0.54) MGLL
Glycidol SCHEMBL5673692 0.93 ALDH1A1 (0.46) ALDH1A1NLRP3LMNAPOLBTP53
SCHEMBL4214489 0.93 ALDH1A1 (0.46) ALDH1A1NLRP3LMNAPOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324996-A Composition for gel electrolyte, electrochromic device and preparation method of electrochromic device 比亚迪股份有限公司 2024-07-12 CN claimed
CN-115385959-B High-purity tedizolid phosphate and preparation method thereof 浙江尖峰药业有限公司 2023-07-28 CN claimed
CN-115825292-B Method for detecting S-glycidol in glycidyl R-butyrate 四川美域高生物医药科技有限公司 2023-05-02 CN claimed
CN-115873026-A Tedizolid intermediate and preparation method of tedizole phosphate 石药集团欧意药业有限公司 2023-03-31 CN claimed
CN-115873036-A Synthetic method of tedizolid phosphate 中国药科大学 2023-03-31 CN claimed
CN-115825292-A Method for detecting S-glycidol in R-glycidyl butyrate 四川美域高生物医药科技有限公司 2023-03-21 CN claimed
CN-115385959-A High-purity tedizolid phosphate and preparation method thereof 浙江尖峰药业有限公司 2022-11-25 CN claimed
CN-216826113-U Feeding device for preparing (R) -glycidyl butyrate 华今(山东)新材料科技有限公司 2022-06-28 CN claimed
CN-110804038-B Preparation method of tedizolid phosphate and intermediate thereof 上海博志研新药物技术有限公司 2021-03-05 CN claimed
CN-107286111-B Preparation method of oxazolidinone compound 广东赛法洛药业有限公司 2020-06-19 CN claimed
US-20100063117-A1 Novel oxazolidinone derivative with difluorophenyl moiety, pharmaceutically acceptable salt thereof, preparation method thereof and antibiotic composition containing the same as an active ingredient KOREA INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2010-03-11 US claimed
WO-2009063505-A2 PROCESS FOR PREPARATION OF (S) (N-[[3-[3-FLUORO-4-(4-MORPHOLINYL) HEN L -2-OXO-5-OXAZOLIDIN L METHYL]ACETAMIDE USV LIMITED (IN) 2009-05-22 WO claimed
WO-2005003087-A2 OXAZOLE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2005-01-13 WO claimed
WO-2004101552-A1 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-11-25 WO claimed
WO-2004009587-A1 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-01-29 WO claimed
WO-2003106454-A1 1H-ISOQUINOLINE-OXAZOLIDINONE DERIVATIES AND THEIR USE AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2003-12-24 WO claimed
US-6313307-B1 DEBLOCKING, DEPROTECTING; CATALYTIC HYDROGENATION, ALKYLATION; PREPARING MICROBIOCIDES AGAINST STAPHYLOCOCCUS, STREPTOCOCCUS, MYCOBACTERIUM, AND CLOSTRIDIUM PHARMACIA & UPJOHN COMPANY 2001-11-06 US claimed
US-6051716-A ANTIMICROBIAL AGENTS PHARMACIA & UPJOHN, INC. (US) 2000-04-18 US claimed
US-5929083-A CONTAINING 3-AZABICYCLO(3.1.1)HEPTANE GROUPS CHEIL JEDANG CORPORATION (KR) 1999-07-27 US claimed
CN-1163892-A 2-oxo-and 2-thio-1,2-dihydroquinolinyl-oxazolidinones BAYER AG (DE) 1997-11-05 CN claimed

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-20100063117-A1 Novel oxazolidinone derivative with difluorophenyl moiety, pharmaceutically acceptable salt thereof, preparation method thereof and antibiotic composition containing the same as an active ingredient VRK1, ALPI, VRK2 ALDH1A1 1099/4885NLRP3 504/4885LMNA 3682/4885

“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.