SCHEMBL1032834

SCHEMBL1032834

CCCCOC(=O)CCSCc1cc(C)cc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.46
▸ CNR1 P21554 2/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PLA2G4B P0C869 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ DGKA P23743 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RIN1 Q13671 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1033643 0.86 HSPA5 (0.44) ESR1CNR1CNR2ALDH1A1TDP1
SCHEMBL16987409 0.82 ESR1 (0.44) ESR1PLA2G4BDGKA
SCHEMBL12574909 0.82 ABL1 (0.43) CNR1CNR2ALDH1A1TDP1KMT2A
SCHEMBL1275760 0.78 DGKA (0.44) ESR1CNR1CNR2DGKAABL1
SCHEMBL12574913 0.74 ABL1 (0.45) CNR1CNR2ALDH1A1TDP1KMT2A
SCHEMBL2017773 0.74 ALDH1A1 (0.33) CNR1CNR2ALDH1A1TDP1PLA2G4B
SCHEMBL9228444 0.73 ESR1 (0.59) ESR1ALDH1A1TDP1CYP2C9CYP2C19
SCHEMBL112324 0.73 DGKA (0.55) ALDH1A1PLA2G4BDGKATSHR
SCHEMBL1274612 0.73 HSPA5 (0.38) ESR1CNR2PLA2G4BDGKA
SCHEMBL8990202 0.72 BCHE (0.45) ALDH1A1TDP1CYP1A2CYP2C9CYP2C19

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 5 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
EP-2276754-B1 STABILIZATION AND SURFACE MODIFICATION OF ORGANIC MATERIALS BASF SE (DE) 2014-12-03 — — EP disclosed
US-20110160357-A1 STABILIZATION AND SURFACE MODIFICATION OF ORGANIC MATERIALS BASF SE (DE) 2011-06-30 — — US disclosed
EP-2276754-A1 STABILIZATION AND SURFACE MODIFICATION OF ORGANIC MATERIALS BASF SE (DE) 2011-01-26 — — EP disclosed
WO-2009127514-A1 STABILIZATION AND SURFACE MODIFICATION OF ORGANIC MATERIALS BASF SE (DE) 2009-10-22 — — WO 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 ESR1 522/4885CNR1 4590/4885CNR2 4746/4885

“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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