SCHEMBL31084126

SCHEMBL31084126

Oc1cccc2c1Sc1ccccc1S2.[S]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
TDP1 Q9NUW8 5/20 0.39
ALOX15 P16050 5/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CA2 P00918 3/20 0.39
MAPT P10636 3/20 0.39
EGFR P00533 2/20 0.39
FYN P06241 2/20 0.39
MMP9 P14780 2/20 0.39
RECQL P46063 2/20 0.39
POLB P06746 2/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA4 P22748 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL30936097 0.98 ALOX5 (0.56) ALOX5TDP1ALOX15ALDH1A1LMNA
SCHEMBL2197852 0.98 ALOX5 (0.56) ALOX5TDP1ALOX15ALDH1A1LMNA
SCHEMBL124605 0.82 ALOX5 (0.60) ALOX5TDP1ALOX15ALDH1A1LMNA
SCHEMBL29368510 0.82 ALOX5 (0.60) ALOX5TDP1ALOX15ALDH1A1LMNA
SCHEMBL3160482 0.77 ALOX5 (0.39) ALOX5TDP1ALOX15ALDH1A1LMNA
SCHEMBL2350478 0.76 ALOX5 (0.49) ALOX5TDP1ALOX15ALDH1A1LMNA
SCHEMBL27549866 0.74 ALOX5 (0.56) ALOX5TDP1ALOX15ALDH1A1LMNA
Thianthrene SCHEMBL30716835 0.74 BCHE (0.53) ALOX5TDP1ALOX15ALDH1A1HPGD
SCHEMBL3078569 0.73 ALOX5 (0.66) ALOX5TDP1ALOX15ALDH1A1HPGD
SCHEMBL30320186 0.73 ALOX5 (0.66) ALOX5TDP1ALOX15ALDH1A1HPGD

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
US-20240299286-A1 COSMETIC SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-09-12 US disclosed
EP-4427730-A1 COSMETIC COMPRISING AN ORGANOSILOXANE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-09-11 EP 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-20240299286-A1 COSMETIC H1-0, TRPA1, PIEZO1 ALOX5 285/4885TDP1 2399/4885ALOX15 266/4885

“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.