SCHEMBL2329799

SCHEMBL2329799

CCCCOC(=O)[C@H](CCS(=O)(=O)O)NC(=O)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.54
POLB P06746 1/20 0.49
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PDE4A P27815 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
CTSK P43235 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GLS O94925 1/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2328066 0.93 POLB (0.51) CNR2POLBALDH1A1MEN1KMT2A
SCHEMBL2325902 0.89 POLB (0.52) CNR2POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL2329062 0.87 POLB (0.51) CNR2POLBALDH1A1LMNAMEN1
SCHEMBL10431009 0.86 CNR2 (0.56) CNR2POLBITGB3ITGA2BKDM4E
SCHEMBL7573224 0.85 CNR2 (0.58) CNR2POLBITGB3ITGA2BKDM4E
SCHEMBL2323463 0.83 BCHE (0.47) KDM4ESMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL2328785 0.82 POLB (0.49) CNR2POLBCYP1A2ALDH1A1MEN1
SCHEMBL8454565 0.82 CNR2 (0.52) CNR2POLBITGB3ITGA2BKDM4E
SCHEMBL8457182 0.82 CNR2 (0.52) CNR2POLBITGB3ITGA2BKDM4E
SCHEMBL2326606 0.81 POLB (0.52) CNR2POLBITGB3ITGA2BHDAC6

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
EP-2356979-B1 ANTI-WRINKLE AGENTS POLA CHEM IND INC (JP) 2017-10-25 EP disclosed
EP-3173063-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2017-05-31 EP disclosed
US-8835498-B2 Anti-wrinkle agents POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-16 US disclosed
US-20110245343-A1 ANTI-WRINKLE AGENTS POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed
EP-2356979-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2011-08-17 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-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 CNR2 1779/4885POLB 1044/4885ITGB3 2903/4885

“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.