SCHEMBL6779753

SCHEMBL6779753

CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
KDM4E B2RXH2 5/20 1.00
POLB P06746 3/20 1.00
TDP1 Q9NUW8 2/20 1.00
APEX1 P27695 1/20 1.00
FPR1 P21462 3/20 0.80
ALOX15 P16050 3/20 0.63
TSHR P16473 1/20 0.63
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
TP53 P04637 1/20 0.60
GAA P10253 1/20 0.60
HTT P42858 3/20 0.60
MAPT P10636 2/20 0.60
HSD17B10 Q99714 2/20 0.60
USP2 O75604 1/20 0.57
GLA P06280 1/20 0.56
ALOX12 P18054 1/20 0.54
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL6779640 0.86 ALDH1A1 (0.76) ALDH1A1KDM4EPOLBTDP1APEX1
SCHEMBL6780486 0.86 ALDH1A1 (0.75) ALDH1A1KDM4EPOLBTDP1APEX1
SCHEMBL6779502 0.81 MEN1 (0.82) ALDH1A1KDM4EPOLBTDP1APEX1
SCHEMBL6785309 0.77 MEN1 (0.79) ALDH1A1KDM4EPOLBTDP1APEX1
SCHEMBL6781053 0.77 MEN1 (0.79) ALDH1A1KDM4EPOLBTDP1APEX1
SCHEMBL6779616 0.76 MEN1 (0.77) ALDH1A1KDM4EPOLBTDP1APEX1
SCHEMBL6780434 0.76 RXFP1 (0.78) ALDH1A1KDM4EPOLBTDP1APEX1
SCHEMBL6781607 0.76 MEN1 (1.00) ALDH1A1KDM4EPOLBTDP1APEX1
SCHEMBL6780190 0.75 ALOX15 (0.63) ALDH1A1KDM4EPOLBTDP1APEX1
SCHEMBL6785761 0.74 MEN1 (0.71) ALDH1A1KDM4EPOLBTDP1APEX1

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-6727275-B2 ANTIINFLAMMATORY, ANTIALLERGEN, AND ANTIASTHMATIC AGENTS UCB, S.A./N.V. (BE) 2004-04-27 US claimed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US 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-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD ALDH1A1 3724/4885KDM4E 3373/4885POLB 1539/4885

“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.