SCHEMBL13367648

SCHEMBL13367648

O=CCCc1ccc(C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
ALDH1A1 P00352 6/20 0.40
ALDH1A3 P47895 2/20 0.40
ALDH3A1 P30838 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TYR P14679 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2A13 Q16696 1/20 0.38
RAB9A P51151 1/20 0.37
KMT2A Q03164 2/20 0.36
KCNJ1 P48048 1/20 0.35
EGFR P00533 1/20 0.34
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 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
SCHEMBL9671868 0.87 HIF1A (0.37) ALDH1A1LMNA
SCHEMBL5429778 0.85 CYP2A6 (0.50) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL18092526 0.83 CDK1 (0.42) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL7789024 0.82 CYP2A6 (0.39) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL2712635 0.82
SCHEMBL27663806 0.82 MET (0.31) CYP2A6ALDH1A1LMNAMAPTHPGD
SCHEMBL10012084 0.80 HRH3 (0.41) LMNA
SCHEMBL15452989 0.80 ALDH1A1 (0.47) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL1308898 0.79 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4E
SCHEMBL7788985 0.79 CYP2A6 (0.41) CYP2A6HSD17B10ALDH5A1ABATALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250312504-A1 VOLATILE COMPOSITION DISPENSER FOR COMPOSITIONS COMPRISING A META-(C1-C4 ALKOXY) SALICYLALDEHYDE THE PROCTER & GAMBLE COMPANY 2025-10-09 US disclosed
US-20240199997-A1 COMPOSITIONS COMPRISING A META-(C1-C4 ALKOXY) SALICYLALDEHYDE PROCTER & GAMBLE COMPANY, THE 2024-06-20 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11298694-B2 Zwitterion-ruthenium complex for catalytic aerobic oxidation reactions THE CHINESE UNIVERSITY OF HONG KONG (CN) 2022-04-12 US disclosed
US-20210121862-A1 ZWITTERION-RUTHENIUM COMPLEX FOR CATALYTIC AEROBIC OXIDATION REACTIONS THE CHINESE UNIVERSITY OF HONG KONG (CN) 2021-04-29 US disclosed
US-7709661-B2 Synthetic methodology for the reductive alkylation at the C-3 position of indoles WYETH LLC (US) 2010-05-04 US disclosed
US-20080161581-A1 SYNTHETIC METHODOLOGY FOR THE REDUCTIVE ALKYLATION AT THE C-3 POSITION OF INDOLES ZIARCO INC. 2008-07-03 US 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 (1 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-20080161581-A1 SYNTHETIC METHODOLOGY FOR THE REDUCTIVE ALKYLATION AT THE C-3 POSITION OF INDOLES IDO1, IDO2, INMT CYP2A6 571/4885HSD17B10 3023/4885ALDH5A1 1195/4885

“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.