SCHEMBL66842

SCHEMBL66842

C[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.75
PTGS1 P23219 8/20 0.62
LMNA P02545 5/20 0.62
CXCR1 P25024 4/20 0.62
CXCR2 P25025 4/20 0.62
SLC22A6 Q4U2R8 3/20 0.62
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
PMP22 Q01453 2/20 0.62
CXCL8 P10145 2/20 0.62
MAPK1 P28482 2/20 0.62
RECQL P46063 1/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP3A4 P08684 1/20 0.62
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
THPO P40225 1/20 0.62
HIF1A Q16665 1/20 0.62
AKR1C3 P42330 3/20 0.57

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
SCHEMBL3418 1.00 PTGS2 (0.75) PTGS2PTGS1LMNACXCR1CXCR2
Benzene SCHEMBL28145708 1.00 PTGS2 (0.75) PTGS2PTGS1LMNACXCR1CXCR2
SCHEMBL10411845 1.00 PTGS2 (0.75) PTGS2PTGS1LMNACXCR1CXCR2
SCHEMBL68873 1.00 PTGS2 (0.75) PTGS2PTGS1LMNACXCR1CXCR2
Iodide SCHEMBL3868944 1.00 PTGS2 (0.75) PTGS2PTGS1LMNACXCR1CXCR2
SCHEMBL23581099 1.00 PTGS2 (0.75) PTGS2PTGS1LMNACXCR1CXCR2
Water SCHEMBL5314805 0.97 PTGS2 (0.72) PTGS2PTGS1LMNACXCR1CXCR2
SCHEMBL9569033 0.97 PTGS2 (0.72) PTGS2PTGS1LMNACXCR1CXCR2
SCHEMBL6534961 0.97 PTGS2 (0.72) PTGS2PTGS1LMNACXCR1CXCR2
SCHEMBL11783168 0.97 PTGS2 (0.72) PTGS2PTGS1LMNACXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290491-A Copper nanocluster and preparation method thereof 清华大学 2024-07-05 CN claimed
CN-118146112-A Capsaicin molecule with optical activity and synthesis method and application thereof 南京理工大学 2024-06-07 CN claimed
US-11999741-B2 Process for the synthesis of 6-((3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-3-(tetrahydropyran-4-yl-7H-imidazo[1,5-a]pyrazin-8-one CARDURION PHARMACEUTICALS, INC. (US) 2024-06-04 US claimed
WO-2024040267-A2 DIRECT SYNTHESIS OF N-(3-SUBSTITUTED-CHROMAN-4-YL)-7H- PYRROLO[2,3-D]PYRIMIDIN-4-AMINES AND DERIVATIVES THEREOF MITOKININ, INC. (US) 2024-02-22 WO claimed
US-11760750-B1 Process for preparing levoketoconazole NURAY CHEMICALS PRIVATE LIMITED (IN) 2023-09-19 US claimed
CN-116727659-A Chiral copper nanocluster and preparation method thereof 清华大学 2023-09-12 CN claimed
CN-114805095-B Preparation method of (S) -5-methoxy-1, 2,3, 4-tetrahydro-N-propyl-2-naphthylamine 上海柏狮生物科技有限公司 2023-07-21 CN claimed
US-20230122169-A1 NOVEL METHOD FOR PREPARING (-)-CIBENZOLINE SUCCINATE CELLTRION, INC. (KR) 2023-04-20 US claimed
CN-114805095-A Preparation method of (S) -5-methoxy-1, 2,3, 4-tetrahydro-N-propyl-2-naphthylamine 上海柏狮生物科技有限公司 2022-07-29 CN claimed
CN-109295152-B Method for catalyzing, esterifying and splitting 2-phenylpropionic acid enantiomer by Novozym435 lipase 湖南理工学院 2021-09-07 CN claimed
EP-1611111-A2 PROCESS FOR RESOLVING 2,4-DIAMINO-3,6-DIHYDRO-1,3,5-TRIAZINES, USEFUL FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH INSULIN RESISTANCE SYNDROME MERCK PATENT GmbH (DE) 2006-01-04 EP claimed
US-20050267104-A1 E.g., ({[Acetyl({(5R)-3-[4-(1,1-dioxidotetrahydro-2H-thiopyran4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl}-methyl)amino]carbonyl}oxymethyl acetate; these compounds have potent activity with excellent oral bioavailability against Gram-positive and Gram-negative bacteria PHARMACIA & UPJOHN COMPANY LLC 2005-12-01 US claimed
WO-2005090295-A2 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA S.P.A. (IT) 2005-09-29 WO claimed
WO-2005028473-A1 ACYLOXYMETHYLCARBAMATE PRODRUGS OF OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY LLC (US) 2005-03-31 WO claimed
EP-1504002-A1 OPTICALLY ACTIVE &bgr;-AMINOKETONES, OPTICALLY ACTIVE 1,3-AMINOALCOHOLS AND METHOD FOR THE PRODUCTION THEREOF Aventis Pharma Deutschland GmbH (DE) 2005-02-09 EP claimed
WO-2004089917-A2 PROCESS FOR RESOLVING 2,4-DIAMINO-3,6-DIHYDRO-1,3,5-TRIAZINES, USEFUL FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH INSULIN RESISTANCE SYNDROME MERCK PATENT GMBH (DE) 2004-10-21 WO claimed
US-20040030145-A1 Optically active B-aminoketones, optically active 1,3-amino alcohols and processes for preparing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 US claimed
WO-2003093259-A1 OPTICALLY ACTIVE β-AMINOKETONES, OPTICALLY ACTIVE 1,3-AMINOALCOHOLS AND METHOD FOR THE PRODUCTION THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-11-13 WO claimed
EP-0420120-B1 Optically active benzyl alcohol compound and pharmaceutical composition HOKURIKU PHARMACEUTICAL (JP) 1994-08-31 EP claimed
EP-0420120-A2 Optically active benzyl alcohol compound and pharmaceutical composition HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-04-03 EP 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 (5 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-20050267104-A1 E.g., ({[Acetyl({(5R)-3-[4-(1,1-dioxidotetrahydro-2H-thiopyran4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl}-methyl)amino]carbonyl}oxymethyl acetate; these compounds have potent activity with excellent oral bioavailability against Gram-positive and Gram-negative bacteria HDAC3, HDAC1, OGA PTGS2 2423/4885PTGS1 1704/4885LMNA 4674/4885
US-11999741-B2 Process for the synthesis of 6-((3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-3-(tetrahydropyran-4-yl-7H-imidazo[1,5-a]pyrazin-8-one CDK8, PRMT8, RPS8 PTGS2 1686/4885PTGS1 2087/4885LMNA 1751/4885
US-20040030145-A1 Optically active B-aminoketones, optically active 1,3-amino alcohols and processes for preparing them ORMDL3, OR10J3, BCAT2 PTGS2 3604/4885PTGS1 3472/4885LMNA 2390/4885
US-20230122169-A1 NOVEL METHOD FOR PREPARING (-)-CIBENZOLINE SUCCINATE SDHA, SDHB, ALDH5A1 PTGS2 2050/4885PTGS1 2452/4885LMNA 3951/4885
US-11760750-B1 Process for preparing levoketoconazole KHK, KYAT3, PLK3 PTGS2 4662/4885PTGS1 4621/4885LMNA 1990/4885

“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.