SCHEMBL1614409

SCHEMBL1614409

CCCCC1C(=O)CCC1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
TLR4 O00206 1/20 0.40
CYP1A2 P05177 4/20 0.37
PTGER2 P43116 5/20 0.35
PTGER4 P35408 2/20 0.35
PTGER3 P43115 2/20 0.35
ELANE P08246 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.34
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
NOS3 P29474 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8965187 0.94 CYP1A2 (0.43) HTTTLR4CYP1A2PTGER2PTGER4
SCHEMBL8964734 0.94 CYP1A2 (0.43) HTTTLR4CYP1A2PTGER2PTGER4
SCHEMBL8964738 0.94 CYP1A2 (0.43) HTTTLR4CYP1A2PTGER2PTGER4
SCHEMBL8965184 0.94 CYP1A2 (0.43) HTTTLR4CYP1A2PTGER2PTGER4
SCHEMBL158776 0.94 CYP1A2 (0.43) HTTTLR4CYP1A2PTGER2PTGER4
SCHEMBL8600712 0.92 CYP1A2 (0.46) HTTCYP1A2PTGER2PTGER4PTGER3
SCHEMBL28035312 0.88 AKR1C4 (0.37) HTTTLR4CYP1A2NOS1NOS2
Acetic Acid SCHEMBL1482741 0.86 PTGER2 (0.44) HTTTLR4CYP1A2PTGER2PTGER4
Acetic Acid SCHEMBL4134829 0.86 PTGER2 (0.44) HTTTLR4CYP1A2PTGER2PTGER4
Acetic Acid SCHEMBL18130856 0.86 PTGER2 (0.44) HTTTLR4CYP1A2PTGER2PTGER4

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
EP-4096618-B1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2025-01-29 EP claimed
EP-4438065-A2 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2024-10-02 EP claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
US-20240050337-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2024-02-15 US claimed
CN-116490160-A A mixture containing 1, 2-alkanediol 西姆莱斯股份公司 2023-07-25 CN claimed
EP-4096618-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2022-12-07 EP claimed
US-20220364016-A1 PERFUME OIL MIXTURE SYMRISE AG (DE) 2022-11-17 US claimed
WO-2022122143-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2022-06-16 WO claimed
US-20190209441-A1 GEL NETWORK HAIR TREATMENT COMPOSITIONS WITH REDUCED ODOR WELLA OPERATIONS US, LLC 2019-07-11 US claimed
US-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR WELLA OPERATIONS US, LLC 2019-06-27 US claimed
US-20190175476-A1 HAIR COLORING OR BLEACHING COMPOSITION WITH REDUCED ODOR WELLA OPERATIONS US, LLC 2019-06-13 US claimed
WO-2018053183-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR NOXELL CORPORATION (US) 2018-03-22 WO claimed
WO-2018053065-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR THE PROCTER & GAMBLE COMPANY (US) 2018-03-22 WO claimed
EP-3295925-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR Noxell Corporation (US) 2018-03-21 EP claimed
WO-2018048933-A1 HAIR COLORING OR BLEACHING COMPOSITION WITH REDUCED ODOR NOXELL CORPORATION (US) 2018-03-15 WO claimed
EP-3290085-A1 HAIR COLOURING OR BLEACHING COMPOSITION WITH REDUCED ODOUR Noxell Corporation (US) 2018-03-07 EP claimed
EP-3290086-A1 GEL NETWORK HAIR TREATMENT COMPOSITIONS WITH REDUCED ODOUR Noxell Corporation (US) 2018-03-07 EP claimed
EP-3197507-A1 MALODOR REDUCTION COMPOSITIONS The Procter and Gamble Company (US) 2017-08-02 EP claimed
US-20160089464-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
WO-2016049389-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO 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 (2 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-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR MAL2, MSH6, OR51E2 HTT 1739/4885TLR4 4506/4885CYP1A2 552/4885
US-20240050337-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS OR10J3, OR51E2, MAL2 HTT 2543/4885TLR4 2761/4885CYP1A2 90/4885

“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.