SCHEMBL3036074

SCHEMBL3036074

CCc1c(C(=O)O)[nH]c2ccc(OC)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.74
ALDH1A1 P00352 7/20 0.74
HPGD P15428 4/20 0.74
HSD17B10 Q99714 4/20 0.74
POLB P06746 2/20 0.67
MDM2 Q00987 1/20 0.67
RXFP1 Q9HBX9 2/20 0.66
PRNP P04156 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
PPARG P37231 1/20 0.66
HIF1A Q16665 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
NR2E3 Q9Y5X4 1/20 0.66
NCOR2 Q9Y618 1/20 0.66
MAPT P10636 5/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
AKR1C2 P52895 1/20 0.59

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
SCHEMBL29628842 0.87 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3953151 0.86 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL6703468 0.85 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL2643401 0.84 CYP2C9 (0.60) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL38662825 0.84 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9127829 0.83 KDM4E (0.86) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL1345727 0.83 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL2396662 0.82 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL1343869 0.82 ALDH1A1 (0.72) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL15428037 0.81 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10POLB

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 KDM4E 1070/4885ALDH1A1 348/4885HPGD 824/4885

“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.