SCHEMBL21362675

SCHEMBL21362675

C/C=C/c1cccc(C(N)=O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
IAPP P10997 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
PARP1 P09874 4/20 0.38
ERN1 O75460 1/20 0.38
CXCR2 P25025 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
METAP2 P50579 1/20 0.36
GAA P10253 1/20 0.36
BACE1 P56817 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
SCHEMBL1320673 0.84 IAPP (0.47) IAPPKDM4EALDH1A1HPGDMAPT
SCHEMBL8676074 0.84 IAPP (0.47) IAPPKDM4EALDH1A1HPGDMAPT
SCHEMBL11130587 0.84 ALDH1A1 (0.53) IAPPKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1320671 0.84 IAPP (0.47) IAPPKDM4EALDH1A1HPGDMAPT
SCHEMBL11130591 0.84 ALDH1A1 (0.53) IAPPKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5678522 0.83 ALDH1A1 (0.47) AKR1C3AKR1C2AKR1C1KDM4EALDH1A1
SCHEMBL5678519 0.83 ALDH1A1 (0.47) AKR1C3AKR1C2AKR1C1KDM4EALDH1A1
SCHEMBL7052252 0.83 IAPP (0.47) AKR1C3AKR1C2AKR1C1IAPPKDM4E
SCHEMBL7052246 0.83 IAPP (0.47) AKR1C3AKR1C2AKR1C1IAPPKDM4E
SCHEMBL6924559 0.82 ALDH1A1 (0.43) AKR1C3AKR1C2AKR1C1KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190282478-A1 ANTIMICROBIAL COMPOSITIONS SYMRISE AG (DE) 2019-09-19 US disclosed
CN-1638718-A Additives and products including oligoesters CRODA INC (US) 2005-07-13 CN 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-20190282478-A1 ANTIMICROBIAL COMPOSITIONS MPO, NHERF1, NOX1 AKR1C3 2488/4885AKR1C2 3000/4885AKR1C1 2811/4885

“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.