SCHEMBL158776

SCHEMBL158776

CCCCCC1C(=O)CCC1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
PTGER2 P43116 5/20 0.40
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOS1 P29475 3/20 0.36
NOS2 P35228 3/20 0.36
NOS3 P29474 2/20 0.36
TLR4 O00206 1/20 0.36
EPHX1 P07099 1/20 0.34
PRKCA P17252 1/20 0.34

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
SCHEMBL8964734 1.00 CYP1A2 (0.43) CYP1A2PTGER2PTGER4PTGER3ALDH1A1
SCHEMBL8965187 1.00 CYP1A2 (0.43) CYP1A2PTGER2PTGER4PTGER3ALDH1A1
SCHEMBL8965184 1.00 CYP1A2 (0.43) CYP1A2PTGER2PTGER4PTGER3ALDH1A1
SCHEMBL8964738 1.00 CYP1A2 (0.43) CYP1A2PTGER2PTGER4PTGER3ALDH1A1
SCHEMBL8600712 0.98 CYP1A2 (0.46) CYP1A2PTGER2PTGER4PTGER3ALDH1A1
SCHEMBL1614409 0.94 HTT (0.40) CYP1A2PTGER2PTGER4PTGER3ALDH1A1
Acetic Acid SCHEMBL4134829 0.92 PTGER2 (0.44) CYP1A2PTGER2PTGER4PTGER3ALDH1A1
Acetic Acid SCHEMBL1482741 0.92 PTGER2 (0.44) CYP1A2PTGER2PTGER4PTGER3ALDH1A1
Acetic Acid SCHEMBL18130856 0.92 PTGER2 (0.44) CYP1A2PTGER2PTGER4PTGER3ALDH1A1
Acetic Acid Methyl Ester SCHEMBL28101633 0.87 HTT (0.45) CYP1A2PTGER2PTGER4PTGER3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475256-B1 DEHYDROGENATION REACTION FIRMENICH & CIE (CH) 2024-01-24 EP claimed
CN-117019033-A Production device and method of 4-methyl-delta-decalactone perfume 安徽华业香料股份有限公司 2023-11-10 CN claimed
CN-116987055-A Synthesis method of 4-methyl-delta-decalactone perfume 安徽华业香料股份有限公司 2023-11-03 CN claimed
CN-109415293-B Dehydrogenation reaction 弗门尼舍有限公司 2022-08-02 CN claimed
US-10899694-B2 Dehydrogenation reaction FIRMENICH SA (CH) 2021-01-26 US claimed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
US-20190345088-A1 DEHYDROGENATION REACTION FIRMENICH SA (CH) 2019-11-14 US claimed
US-20190155975-A9 Antiperspirant and Deodorant Compositions Comprising Malodor Reduction Compositions THE PROCTER & GAMBLE COMPANY 2019-05-23 US claimed
EP-3475256-A1 DEHYDROGENATION REACTION Firmenich SA (CH) 2019-05-01 EP claimed
EP-0794763-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-17 EP claimed
EP-0792110-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-03 EP claimed
WO-1996019194-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-06-27 WO claimed
WO-1996019561-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-06-27 WO claimed
WO-1996019119-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-06-27 WO claimed
WO-1996019562-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-06-27 WO claimed
EP-0513627-B1 Tetrahydro-alpha-pyrone derivative, method for its preparation and perfume and/or flavouring compositions containing it GIVAUDAN ROURE INT (CH) 1996-02-28 EP claimed
EP-0394810-B1 PROCESS OF SCENTING FIRMENICH SA (CH) 1993-10-13 EP claimed
EP-0513627-A1 Tetrahydro-alpha-pyrone derivative, method for its preparation and perfume and/or flavouring compositions containing it GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1992-11-19 EP claimed
EP-0394810-A1 Process of scenting FIRMENICH SA (CH) 1990-10-31 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 (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-10899694-B2 Dehydrogenation reaction PDK3, PDK2, PDHA1 CYP1A2 53/4885PTGER2 1646/4885PTGER4 959/4885
US-20190345088-A1 DEHYDROGENATION REACTION PDK3, PDK2, PDHA1 CYP1A2 53/4885PTGER2 1646/4885PTGER4 959/4885

“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.