SCHEMBL6325563

SCHEMBL6325563

CCOCCn1cccc1-c1noc(CCC(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.51
TP53 P04637 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
HPGD P15428 6/20 0.47
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 1/20 0.47
LMNA P02545 5/20 0.47
ATM Q13315 2/20 0.47
MCL1 Q07820 1/20 0.46
TSHR P16473 4/20 0.45
MAPK1 P28482 3/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR1 O14842 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 3/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6328188 0.90 HPGD (0.41) MITFTP53NCOA3HPGDALDH1A1
SCHEMBL6333227 0.85 ALDH1A1 (0.54) MITFTP53NCOA3HPGDALDH1A1
SCHEMBL6533604 0.83 RXRA (0.35) MITFTP53NCOA3ALDH1A1TSHR
SCHEMBL6333397 0.83 ALDH1A1 (0.49) MITFTP53NCOA3HPGDALDH1A1
SCHEMBL6326362 0.81 HPGD (0.56) MITFTP53NCOA3HPGDALDH1A1
SCHEMBL6533607 0.79 EPHX2 (0.35) TSHRFFAR1
SCHEMBL27589997 0.78 MCL1 (0.50) MITFTP53NCOA3HPGDALDH1A1
SCHEMBL6323359 0.76 HPGD (0.43) MITFTP53NCOA3HPGDALDH1A1
SCHEMBL6326350 0.74 HPGD (0.43) TP53HPGDALDH1A1LMNATSHR
SCHEMBL27590000 0.72 ALDH1A1 (0.52) MITFTP53NCOA3HPGDALDH1A1

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-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 MITF 1978/4885TP53 81/4885NCOA3 432/4885

“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.