SCHEMBL1777591

SCHEMBL1777591

CCC(=O)OC1CCCCC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
POLB P06746 3/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.46
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4056985 0.95 ALDH1A1 (0.42) ALDH1A1POLBUSP2LMNAKDM4E
SCHEMBL6673706 0.86 POLB (0.46) ALDH1A1POLBUSP2LMNAKDM4E
SCHEMBL10412697 0.85 KDM4E (0.47) ALDH1A1POLBUSP2LMNAKDM4E
SCHEMBL28392032 0.83 KDM4E (0.48) ALDH1A1POLBUSP2LMNAKDM4E
SCHEMBL16904245 0.81 ALDH1A1 (0.40) ALDH1A1POLBUSP2LMNAKDM4E
SCHEMBL29224277 0.79 KDM4E (0.47) ALDH1A1POLBUSP2LMNAKDM4E
SCHEMBL22323590 0.79 MAPT (0.52) ALDH1A1POLBUSP2LMNAKDM4E
SCHEMBL22324061 0.79 MAPT (0.52) ALDH1A1POLBUSP2LMNAKDM4E
SCHEMBL6028694 0.79 MAPT (0.52) ALDH1A1POLBUSP2LMNAKDM4E
SCHEMBL10361297 0.79 CYP2D6 (0.51) ALDH1A1POLBUSP2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658790-A Novel preparation method of L-menthyl formic acid 广州百花香料股份有限公司 2024-03-08 CN claimed
CN-117069585-A Preparation method of ethyl 2-cyclohexanone formate 烟台舜康生物科技有限公司 2023-11-17 CN claimed
CN-115583871-B All C 13 Preparation method of isotope labeled decabromodiphenyl ether 烟台大学 2023-05-12 CN claimed
CN-115286575-A Quinolinone seven-eight membered ring derivative and synthesis method and application thereof 河南科技大学 2022-11-04 CN claimed
CN-118558364-A Polyfluoroalkyl modified COFs supported nano palladium catalyst and preparation method and application thereof 中南大学 2024-08-30 CN disclosed
CN-118525005-A Polycyclic derivative containing pyridine, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-20 CN disclosed
CN-115003671-B JNK inhibitors, pharmaceutical compositions and uses thereof 武汉朗来科技发展有限公司 2024-08-06 CN disclosed
CN-118290415-A N-heteroaryl benzothiazole heterocyclic derivative, preparation method and application thereof 西北农林科技大学 2024-07-05 CN disclosed
CN-117935945-A Screening method of Cu-TEMPO catalytic system 内蒙古工业大学 2024-04-26 CN disclosed
CN-117924327-A Kras inhibitor compounds having macrocyclic structure 上海湃隆生物科技有限公司 2024-04-26 CN disclosed
CN-117658790-A Novel preparation method of L-menthyl formic acid 广州百花香料股份有限公司 2024-03-08 CN disclosed
US-11884837-B2 Scratch and mar resistant automotive coatings BASF COATINGS GMBH (DE) 2024-01-30 US disclosed
WO-2004007709-A2 PRODUCTION OF POLYKETIDES BIOTICA TECHNOLOGY LIMITED (GB) 2004-01-22 WO disclosed
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-10 US disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed
CN-1070181-C Organic peroxide stabilization with beta-dicarbonyl or cyclic alpha-diketone compounds CK WITCO CORP (US) 2001-08-29 CN disclosed
EP-0553801-B1 Use of sulfur-containing acid phosphoric ester as internal release agent MITSUI TOATSU CHEMICALS (JP) 1997-04-23 EP disclosed
WO-1997006218-A1 POWDER PAINT COMPOSITION DSM N.V. (NL) 1997-02-20 WO disclosed
US-5389708-A Polymerizing polyisocyanate or polyisothiocyanate with polyol or polythiol in presence of thiophosphoric or dithiophosphoric acid ester MITSUI TOATSU CHEMICALS, INC. (JP) 1995-02-14 US disclosed
EP-0553801-A1 Use of sulfur-containing acid phosphoric ester as internal release agent MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-04 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 (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-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 ALDH1A1 701/4885POLB 2262/4885USP2 1187/4885

“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.