SCHEMBL9290332

SCHEMBL9290332

Bc1ccc(C(=O)C(=O)OC)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.41
BRD4 O60885 2/20 0.37
HPGDS O60760 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CDC25B P30305 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR4A2 P43354 2/20 0.36
CREBBP Q92793 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
IDO1 P14902 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL1600050 0.81 IDO1 (0.46) PLK1KDM4ECDC25BIDO1LMNA
SCHEMBL1599297 0.79 PKM (0.47) PLK1HPGDSKDM4EALDH1A1HPGD
SCHEMBL7640335 0.79 PLK1 (0.58) PLK1KDM4EALDH1A1HPGDCDC25B
SCHEMBL14495235 0.74 NR4A1 (0.57) KDM4EALDH1A1HPGDCDC25BNR4A2
SCHEMBL12345028 0.73 LMNA (0.50) BRD4KDM4EALDH1A1HPGDNPSR1
SCHEMBL13070722 0.72 ALDH1A1 (0.42) PLK1HPGDSKDM4EALDH1A1HPGD
SCHEMBL13070720 0.71 CNR1 (0.45) HPGDSKDM4EALDH1A1HPGDNPSR1
SCHEMBL7776559 0.71 LDHA (0.59) KDM4ELMNAMAPTKMT2A
SCHEMBL9442068 0.69 PLK1 (0.54) PLK1KDM4EALDH1A1HPGDCDC25B
SCHEMBL29434198 0.69 BRD4 (0.59) PLK1BRD4KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 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-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A PLK1 1777/4885BRD4 1228/4885HPGDS 166/4885

“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.