SCHEMBL31478710

SCHEMBL31478710

CCCCC=CC=CC=CO

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.52
FASN P49327 1/20 0.45
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
FAAH O00519 4/20 0.38
KDM4E B2RXH2 1/20 0.38
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36

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
SCHEMBL31373180 0.98 TSHR (0.50) TSHRALDH1A1FASNF7F3
SCHEMBL9283733 0.97 TSHR (0.48) TSHRALDH1A1FASNF7F3
SCHEMBL9283727 0.97 TSHR (0.48) TSHRALDH1A1FASNF7F3
SCHEMBL28779460 0.97
SCHEMBL130025 0.97
SCHEMBL28539658 0.97
SCHEMBL130026 0.97
SCHEMBL29596258 0.97
SCHEMBL30744075 0.93 ALDH1A1 (0.61) TSHRALDH1A1FASNFAAHKDM4E
SCHEMBL30938688 0.93 ALDH1A1 (0.61) TSHRALDH1A1FASNFAAHKDM4E

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 2 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 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 TSHR 2693/4885ALDH1A1 4856/4885FASN 2077/4885

“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.