SCHEMBL2017773

SCHEMBL2017773

CCCCOC(=O)CCSCc1cc(C)cc2c1OCSC2

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PLA2G4B P0C869 4/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL1032834 0.74 ESR1 (0.46) ALDH1A1KDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL1033643 0.71 HSPA5 (0.44) ALDH1A1HSD17B10CYP2C9CYP2C19TDP1
SCHEMBL112324 0.66 DGKA (0.55) ALDH1A1PLA2G4B
SCHEMBL11752253 0.63 DGKA (0.52) ALDH1A1PLA2G4B
SCHEMBL31290498 0.63 POLB (0.50) ALDH1A1KDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL25479475 0.62 DGKA (0.55) ALDH1A1HSD17B10CYP2C9PLA2G4B
SCHEMBL9008209 0.62 NAAA (0.60) PLA2G4B
SCHEMBL29986668 0.62 NAAA (0.59) PLA2G4B
SCHEMBL26220850 0.62 DGKA (0.53) ALDH1A1
SCHEMBL5014435 0.61 PLA2G4B (0.59) ALDH1A1HSD17B10PLA2G4BTDP1KMT2A

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-8980134-B2 Stabilization and surface modification of organic materials BASF SE (DE) 2015-03-17 — — US disclosed
US-20110160357-A1 STABILIZATION AND SURFACE MODIFICATION OF ORGANIC MATERIALS BASF SE (DE) 2011-06-30 — — 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-20110160357-A1 STABILIZATION AND SURFACE MODIFICATION OF ORGANIC MATERIALS SOD1, EPCAM, AOX1 ALDH1A1 42/4885KDM4E 1627/4885HSD17B10 3946/4885

“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.

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