SCHEMBL2333174

SCHEMBL2333174

CCCCOC(=O)[C@H](CCS(=O)(=O)O)NC(=O)c1ccccc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
HPGD P15428 3/20 0.44
CTSD P07339 1/20 0.44
TP53 P04637 2/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KCNA3 P22001 1/20 0.41
SLC6A9 P48067 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
SCHEMBL2330575 0.93 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1SMN1; SMN2TAS1R3
SCHEMBL2328285 0.90 TAS1R3 (0.47) ALDH1A1MAPTMAPK1SMN1; SMN2TAS1R3
SCHEMBL2327761 0.89 HPGD (0.50) ALDH1A1TAS1R3TAS1R1HPGDCTSD
SCHEMBL13583500 0.87 ALDH1A1 (0.48) ALDH1A1MAPTTP53TSHRTDP1
SCHEMBL2331418 0.85 CLPP (0.44) ALDH1A1MAPK1TAS1R3TAS1R1TSHR
SCHEMBL2334493 0.84 HPGD (0.53) ALDH1A1TAS1R3TAS1R1HPGDCTSD
SCHEMBL2329628 0.83 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1SMN1; SMN2TAS1R3
SCHEMBL2323463 0.83 BCHE (0.47) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL2324537 0.82 ALDH1A1 (0.53) ALDH1A1MAPTTP53TSHRKMT2A
SCHEMBL13822310 0.82 TAS1R3 (0.44) ALDH1A1SMN1; SMN2TAS1R3TAS1R1HPGD

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-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 ALDH1A1 2655/4885MAPT 4753/4885MAPK1 1112/4885

“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.