SCHEMBL44697

SCHEMBL44697

CC(C)Cc1ccc(C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.52
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
AKR1C3 P42330 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
ALB P02768 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX5 P09917 1/20 0.47
RARB P10826 1/20 0.47
ADRB3 P13945 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47
NR1I3 Q14994 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
CXCL8 P10145 1/20 0.47
TSHR P16473 1/20 0.47
AKR1C2 P52895 1/20 0.47

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
SCHEMBL4371655 0.94 NPC1 (0.49) TYRPTGS1PTGS2LMNACYP2C9
SCHEMBL4371652 0.94 NPC1 (0.49) TYRPTGS1PTGS2LMNACYP2C9
SCHEMBL9368922 0.94 TYR (0.47) TYRPTGS1PTGS2LMNACYP2C9
SCHEMBL4052731 0.90 TYR (0.44) TYRPTGS1PTGS2LMNACYP2C9
SCHEMBL4053482 0.84 RAB9A (0.55) LMNAALDH1A3CYP2A6NPC1RAB9A
SCHEMBL20715710 0.83 SMN1; SMN2 (0.50) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL4052732 0.83 CYP2A6 (0.46) TYRPTGS1PTGS2LMNACYP2C9
SCHEMBL1249267 0.83 TYR (0.48) TYRLMNANFKB1TSHRALDH1A3
SCHEMBL12337688 0.83 TAAR1 (0.55) CYP2A6
SCHEMBL17103199 0.83 TYR (0.48) TYRPTGS2LMNACYP2C9ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250382251-A1 ALDEHYDE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-12-18 US claimed
EP-4524223-A1 ALDEHYDE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-03-19 EP claimed
CN-119384487-A Aldehyde composition 三菱瓦斯化学株式会社 2025-01-28 CN claimed
WO-2023243499-A1 ALDEHYDE COMPOSITION 三菱瓦斯化学株式会社 2023-12-21 WO claimed
CN-117164881-A Europium-based metal-organic framework material and preparation method and application thereof 内蒙古大学 2023-12-05 CN claimed
EP-3048095-B1 BIS(AMINO-METHYL)CYCLOHEXANE ISOMERIZATION METHOD MITSUBISHI GAS CHEMICAL CO (JP) 2018-12-26 EP claimed
CN-108558911-A Polysubstituted benzothienothiazole and derivative and synthesis method thereof 湘潭大学 2018-09-21 CN claimed
EP-2199290-B1 Method of nucleating a polyolefin composition with acetal-based compounds MILLIKEN & CO (US) 2018-06-06 EP claimed
US-9604905-B2 Isomerization method for bis (aminomethyl) cyclohexane MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-03-28 US claimed
EP-3048095-A1 BIS(AMINO-METHYL)CYCLOHEXANE ISOMERIZATION METHOD Mitsubishi Gas Chemical Company, Inc. (JP) 2016-07-27 EP claimed
CN-1984949-A Method for nucleating polyolefin compositions with acetal-based compounds MILLIKEN & CO (US) 2007-06-20 CN claimed
EP-1740653-A2 METHOD OF NUCLEATING A POLYOLEFIN COMPOSITION WITH ACETAL-BASED COMPOUNDS Milliken & Company (US) 2007-01-10 EP claimed
US-7157510-B2 Method of nucleating a polyolefin composition with acetal-based compounds MILLIKEN & COMPANY (US) 2007-01-02 US claimed
US-7071362-B2 Process for producing alicyclic aldehydes MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-07-04 US claimed
WO-2005111134-A2 METHOD OF NUCLEATING A POLYOLEFIN COMPOSITION WITH ACETAL-BASED COMPOUNDS MILLIKEN & COMPANY (US) 2005-11-24 WO claimed
WO-2005108479-A2 ACETAL-BASED COMPOSITIONS MILLIKEN & COMPANY (US) 2005-11-17 WO claimed
US-20050239928-A1 Acetal-based compositions MILLIKEN & COMPANY 2005-10-27 US claimed
US-20050239926-A1 Method of nucleating a polyolefin composition with acetal-based compounds MILLIKEN & COMPANY 2005-10-27 US claimed
US-20030009058-A1 Process and (acid and Basic) catalysts for the obtainment of alpha-alkylcinnamaldehydes UNIVERSIDAD POLITECNICA DE VALENCIA (ES) 2003-01-09 US claimed
EP-1243574-A1 METHOD AND (ACID AND BASIC) CATALYSTS FOR OBTAINING ALPHA-ALKYL CINAMALDEHYDES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2002-09-25 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-20250382251-A1 ALDEHYDE COMPOSITION ALDH1A1, ALDH2, ALDH3A1 TYR 2839/4885PTGS1 750/4885PTGS2 853/4885
US-20050239928-A1 Acetal-based compositions PCNA, RAD51, AR TYR 4715/4885PTGS1 984/4885PTGS2 1345/4885

“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.