SCHEMBL31582467

SCHEMBL31582467

OCCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.62
ALDH1A1 P00352 4/20 0.60
LMNA P02545 2/20 0.60
NPSR1 Q6W5P4 2/20 0.57
HPGD P15428 1/20 0.56
RECQL P46063 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALPL P05186 1/20 0.53
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL31582268 0.81 PTGES (0.63) PTGESALDH1A1LMNANPSR1HPGD
SCHEMBL31582548 0.80 NPSR1 (0.57) PTGESALDH1A1LMNANPSR1HPGD
SCHEMBL25940206 0.80 ALDH1A1 (0.62) PTGESALDH1A1LMNANPSR1HPGD
SCHEMBL21527261 0.79 NPSR1 (0.66) PTGESALDH1A1LMNANPSR1HPGD
SCHEMBL26969218 0.79 PTGES (0.76) PTGESALDH1A1LMNAHPGDRECQL
SCHEMBL31582586 0.78 ALDH1A1 (0.62) PTGESALDH1A1LMNANPSR1HPGD
SCHEMBL31582564 0.77 PTGES (0.62) PTGESALDH1A1LMNANPSR1HPGD
SCHEMBL17153778 0.76 NPSR1 (0.71) PTGESALDH1A1LMNANPSR1HPGD
SCHEMBL12316869 0.75 NPSR1 (0.60) PTGESALDH1A1LMNANPSR1HPGD
SCHEMBL31582549 0.74 HPGD (0.71) PTGESALDH1A1LMNAHPGDRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163006-A1 New Coolants, and Preparations Containing Same SYMRISE AG (DE) 2025-05-22 US claimed
WO-2025132323-A1 COMPOSITIONS COMPRISING A SUNSCREEN ACTIVE AGENT DSM-FIRMENICH AG (CH) 2025-06-26 WO disclosed
US-20250163006-A1 New Coolants, and Preparations Containing Same SYMRISE AG (DE) 2025-05-22 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-20250163006-A1 New Coolants, and Preparations Containing Same TTR, TAS2R5, TAS2R50 PTGES 1936/4885ALDH1A1 811/4885LMNA 3005/4885

“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.