SCHEMBL2330835

SCHEMBL2330835

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.42
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMPD2 O60906 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FOLH1 Q04609 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
SLC1A3 P43003 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
SCHEMBL2323986 0.89 CTNNB1 (0.43) CTNNB1HDAC1HDAC6SMPD2TDP1
SCHEMBL2331281 0.85 CHRNB2 (0.42) SMPD2TDP1FOLH1KMT2AALDH1A1
SCHEMBL2329489 0.84 KMT2A (0.39) CTNNB1SMPD2TDP1FOLH1HRH4
SCHEMBL2327015 0.83 L3MBTL1 (0.40) TDP1KMT2AKDM4EALDH1A1NPC1
SCHEMBL2332319 0.79 MLYCD (0.42) TDP1FOLH1KMT2AKDM4EALDH1A1
SCHEMBL2329525 0.74 CHRNB2 (0.44) SMPD2TDP1HRH4KMT2AALDH1A1
SCHEMBL2330797 0.73 CHRNB2 (0.41) TDP1KMT2AKDM4EALDH1A1HPGD
SCHEMBL27372764 0.73 NPC1 (0.44) HDAC1HDAC6FOLH1KMT2AALDH1A1
SCHEMBL2327184 0.73 HRH4 (0.40) CTNNB1SMPD2TDP1FOLH1HRH4
SCHEMBL2326949 0.72 L3MBTL1 (0.41) KMT2AKDM4EALDH1A1NPC1RAB9A

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 CTNNB1 1772/4885HDAC1 371/4885HDAC6 1734/4885

“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.