SCHEMBL2331989

SCHEMBL2331989

COc1ccccc1C(=O)N(c1ccccc1)[C@@H](CCS)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.41
CTSD P07339 1/20 0.40
TSHR P16473 1/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LPAR1 Q92633 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
KCNA3 P22001 2/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36

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
SCHEMBL2332451 0.90 NPC1 (0.45) NPC1RAB9ACTSDTSHRHPGD
SCHEMBL2328540 0.90 NPC1 (0.46) NPC1RAB9ACTSDTSHRHPGD
SCHEMBL2332673 0.82 NPC1 (0.47) NPC1RAB9ACTSDTSHRHPGD
SCHEMBL2332319 0.80 MLYCD (0.42) NPC1RAB9ATSHRHPGDTP53
SCHEMBL2328440 0.80 KMT2A (0.47) ALDH1A1LPAR1KMT2A
SCHEMBL2327592 0.75 KMT2A (0.45) ALDH1A1KMT2APOLBLMNA
SCHEMBL2326949 0.73 L3MBTL1 (0.41) NPC1RAB9ACTSDHPGDTP53
SCHEMBL2327176 0.73 CACNA1B (0.40) NPC1RAB9ACTSDHPGDTP53
SCHEMBL2327734 0.70 FOLH1 (0.41) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL529916 0.70 POLB (0.60) NPC1RAB9ACTSDHPGDTP53

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 NPC1 4142/4885RAB9A 4160/4885CTSD 3604/4885

“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.