SCHEMBL2515529

SCHEMBL2515529

CC(=O)Oc1cc(C)cc(C)c1C(C)(C)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
CYP2C9 P11712 2/20 0.35
ALDH1A1 P00352 5/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 5/20 0.34
TSHR P16473 3/20 0.34
GAA P10253 2/20 0.34
RAB9A P51151 1/20 0.34
CFD P00746 2/20 0.34
HTT P42858 1/20 0.34
FABP4 P15090 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA1A P35348 1/20 0.33
PPARG P37231 1/20 0.33
HTR2B P41595 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL29450106 1.00 ELANE (0.37) ELANECYP2C9ALDH1A1ACHEKDM4E
Hydrochloric Acid SCHEMBL29259039 0.99 ELANE (0.36) ELANECYP2C9ALDH1A1ACHEKDM4E
SCHEMBL24326604 0.90 CYP2C9 (0.36) ELANECYP2C9ALDH1A1KDM4ETSHR
SCHEMBL21662664 0.90 ELANE (0.38) ELANECYP2C9ALDH1A1ACHEKDM4E
SCHEMBL18121368 0.87 ELANE (0.36) ELANECYP2C9ALDH1A1ACHEKDM4E
SCHEMBL21342598 0.87 ELANE (0.36) ELANECYP2C9ALDH1A1ACHEKDM4E
SCHEMBL23832314 0.87 ELANE (0.36) ELANECYP2C9ALDH1A1ACHEKDM4E
SCHEMBL13245289 0.87 ALDH1A1 (0.38) ELANECYP2C9ALDH1A1ACHEKDM4E
SCHEMBL18114101 0.87 ELANE (0.44) ELANECYP2C9ALDH1A1TSHRFABP4
SCHEMBL30152011 0.87 ELANE (0.36) ELANECYP2C9ALDH1A1ACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112789085-A Compounds useful in HIV therapy 葛兰素史克知识产权第二有限公司 2021-05-11 CN claimed
US-20260035371-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2026-02-05 US disclosed
US-12240853-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2025-03-04 US disclosed
US-20250049748-A1 ANALOGS OF 4-BROMO-2,5-DIMETHOXYPHENETHYLAMINE TERRAN BIOSCIENCES INC (US) 2025-02-13 US disclosed
EP-3277662-B1 HYDROGEN SULFIDE PRECURSORS AND CONJUGATES THEREOF UNIV GEORGIA STATE RES FOUND (US) 2025-01-22 EP disclosed
US-20240286999-A1 AZABICYCLO[3.1.0]HEXANE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-08-29 US disclosed
US-20240247024-A1 INHIBITORS OF NICOTINAMIDE N-METHYL TRANSFERASE (NNMT) UNIVERSITEIT LEIDEN (NL) 2024-07-25 US disclosed
US-20240182473-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-06-06 US disclosed
CN-118119389-A Prodrugs and derivatives of des-phosphate nupharicin and uses thereof 人类生物科学股份有限公司 2024-05-31 CN disclosed
CN-117956991-A N, N-dimethyltryptamine and related hallucinogens and uses thereof 人类生物科学股份有限公司 2024-04-30 CN disclosed
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2009-09-10 US disclosed
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2009-09-10 US disclosed
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2009-09-10 US disclosed
US-7534902-B2 Fluorescence assays with improved sensitivity WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-05-19 US disclosed
US-7534902-B2 Fluorescence assays with improved sensitivity WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-05-19 US disclosed
US-7534902-B2 Fluorescence assays with improved sensitivity WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-05-19 US disclosed
WO-2008157726-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
WO-2008157726-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
US-20050147997-A1 Fluorescence assays with improved sensitivity WISCONSIN ALUMNI RESEARCH FOUNDATION 2005-07-07 US disclosed
WO-2005047245-A2 FLUORESCENCE ASSAYS WITH IMPROVED BLOCKING GROUPS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-05-26 WO 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 (8 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-20050147997-A1 Fluorescence assays with improved sensitivity UACA, HNRNPUL1, FUS ELANE 524/4885CYP2C9 4779/4885ALDH1A1 3668/4885
US-20240247024-A1 INHIBITORS OF NICOTINAMIDE N-METHYL TRANSFERASE (NNMT) NNMT, NAMPT, NNT ELANE 3082/4885CYP2C9 1411/4885ALDH1A1 629/4885
US-20260035371-A1 COMPOUNDS USEFUL IN HIV THERAPY CCR5, CCR1, CYC1 ELANE 565/4885CYP2C9 304/4885ALDH1A1 1180/4885
US-20250049748-A1 ANALOGS OF 4-BROMO-2,5-DIMETHOXYPHENETHYLAMINE PNMT, HNMT, COMT ELANE 2180/4885CYP2C9 1054/4885ALDH1A1 904/4885
US-20240182473-A1 COMPOUNDS USEFUL IN HIV THERAPY CD4, CCR5, G6PD ELANE 82/4885CYP2C9 845/4885ALDH1A1 398/4885
US-20240286999-A1 AZABICYCLO[3.1.0]HEXANE COMPOUND MALT1, CXCR1, AZI2 ELANE 3035/4885CYP2C9 450/4885ALDH1A1 479/4885
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics OXA1L, TLR1, OXER1 ELANE 12/4885CYP2C9 1816/4885ALDH1A1 646/4885
US-12240853-B2 Compounds useful in HIV therapy CCR5, CD4, LSS ELANE 38/4885CYP2C9 745/4885ALDH1A1 678/4885

“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.