SCHEMBL2999387

SCHEMBL2999387

Cc1c[nH]c(=O)c2[nH]c3ccc(C(=O)O)cc3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
PARP1 P09874 4/20 0.47
GRIK1 P39086 1/20 0.47
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
APEX1 P27695 1/20 0.44
KIF11 P52732 1/20 0.42
PSMD14 O00487 1/20 0.41
RECQL P46063 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FGFR1 P11362 2/20 0.41
FLT1 P17948 2/20 0.41
KDR P35968 2/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL15201551 0.81 KDM4E (0.58) KDM4EALDH1A1THRBHPGDPARP1
SCHEMBL14623812 0.78 PARP1 (0.48) KDM4EALDH1A1THRBHPGDPARP1
SCHEMBL26607976 0.78 MAPT (0.45) KDM4EALDH1A1THRBHPGDRXFP1
SCHEMBL30844879 0.77 KDM4E (0.59) KDM4EALDH1A1THRBHPGDPARP1
SCHEMBL24303585 0.77 KDM4E (0.59) KDM4EALDH1A1THRBHPGDPARP1
SCHEMBL26607972 0.76 CDC25B (0.44) ALDH1A1KMT2A
SCHEMBL26607975 0.75 BCL6 (0.42) KDM4EALDH1A1THRBHPGDPARP1
SCHEMBL3798595 0.75 KDM4E (0.56) KDM4EALDH1A1THRBHPGDPARP1
SCHEMBL2610249 0.75 HTR7 (0.56) KDM4EALDH1A1THRBHPGDGRIK1
SCHEMBL26607973 0.74 KDM4E (0.40) KDM4EALDH1A1THRBHPGDPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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 (2 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 KDM4E 2943/4885ALDH1A1 3894/4885THRB 2083/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 KDM4E 2943/4885ALDH1A1 3894/4885THRB 2083/4885

“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.