SCHEMBL2331281

SCHEMBL2331281

O=C(O)[C@H](CCS)N(C(=O)c1ccccc1-c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCAT2 O15382 1/20 0.37
PPARG P37231 6/20 0.36
PPARA Q07869 6/20 0.36
SMPD2 O60906 1/20 0.36
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35

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
SCHEMBL2329525 0.91 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL2330797 0.89 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL2330835 0.85 CTNNB1 (0.42) MEN1KMT2AALDH1A1TDP1SMPD2
SCHEMBL2327015 0.83 L3MBTL1 (0.40) MEN1KMT2AALDH1A1HTTTDP1
SCHEMBL2328440 0.82 KMT2A (0.47) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL2330343 0.82 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL2329489 0.77 KMT2A (0.39) MEN1KMT2AALDH1A1TDP1L3MBTL1
SCHEMBL2323986 0.74 CTNNB1 (0.43) TDP1SMPD2NR4A1NR4A2NR4A3
SCHEMBL2326949 0.73 L3MBTL1 (0.41) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL2331098 0.73 MEN1 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3MEN1

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 CHRNB2 2543/4885CHRNA4 2110/4885CHRNB4 2033/4885

“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.