SCHEMBL31478740

SCHEMBL31478740

O=C/C=C/C=C/c1ccoc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.50
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
ALOX5 P09917 3/20 0.40
LMNA P02545 2/20 0.40
TRPA1 O75762 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 2/20 0.38
XDH P47989 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL31478723 1.00 HCAR2 (0.50) HCAR2CYP1A1CYP1A2CYP1B1MAPT
SCHEMBL3341338 0.91
SCHEMBL2260829 0.91
SCHEMBL11946887 0.77 CYP1A1 (0.47) HCAR2CYP1A1CYP1A2CYP1B1MAPT
SCHEMBL710502 0.74 NPC1 (0.48) HCAR2CYP1A1CYP1A2CYP1B1MAPT
SCHEMBL710501 0.74 NPC1 (0.48) HCAR2CYP1A1CYP1A2CYP1B1MAPT
SCHEMBL9454054 0.74
SCHEMBL9454051 0.74
SCHEMBL9454497 0.74
Furan-3-Carbaldehyde SCHEMBL133204 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072739-A1 TRIGGERING DIATOM PROGRAMMED CELL DEATH BY STIMULATING INFOCHEMICAL SIGNALING SYSTEMS BATTELLE MEMORIAL INSTITUTE (US) 2025-04-03 WO claimed
US-20250107523-A1 TRIGGERING DIATOM PROGRAMMED CELL DEATH BY STIMULATING INFOCHEMICAL SIGNALING SYSTEMS BATTELLE MEMORIAL INSTITUTE (US) 2025-04-03 US claimed
WO-2025072739-A1 TRIGGERING DIATOM PROGRAMMED CELL DEATH BY STIMULATING INFOCHEMICAL SIGNALING SYSTEMS BATTELLE MEMORIAL INSTITUTE (US) 2025-04-03 WO disclosed
US-20250107523-A1 TRIGGERING DIATOM PROGRAMMED CELL DEATH BY STIMULATING INFOCHEMICAL SIGNALING SYSTEMS BATTELLE MEMORIAL INSTITUTE (US) 2025-04-03 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-20250107523-A1 TRIGGERING DIATOM PROGRAMMED CELL DEATH BY STIMULATING INFOCHEMICAL SIGNALING SYSTEMS PTDSS2, PTDSS1, BAD HCAR2 2080/4885CYP1A1 4799/4885CYP1A2 4804/4885

“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.