SCHEMBL3023372

SCHEMBL3023372

CC1(C)OC[C@H](CCOc2ccc3[nH]c(C(=O)O)cc3c2)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SRD5A2 P31213 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ KMT2A Q03164 1/20 0.45
▸ PLA2G4A P47712 1/20 0.43
▸ PDGFRB P09619 8/20 0.42
▸ PDGFRA P16234 7/20 0.42
▸ BCHE P06276 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ FLT3 P36888 3/20 0.40
▸ XDH P47989 1/20 0.40
▸ MAPK14 Q16539 2/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL19885961 0.78 KDM4E (0.60) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL4539725 0.76 KDM4E (0.55) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL1144832 0.75 KDM4E (0.65) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL4369016 0.75 PLA2G4A (0.67) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL4816031 0.74 KDM4E (0.64) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL10762275 0.74 PLA2G4B (0.43) ALDH1A1MAPK14
SCHEMBL10762271 0.74 PLA2G4B (0.43) ALDH1A1MAPK14
SCHEMBL3033147 0.73 KDM4E (0.67) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL5016941 0.73 HRH3 (0.56) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL4360657 0.73 PLA2G4A (0.68) KDM4EALDH1A1CYP1A2CYP2C9HPGD

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 348/4885CYP1A2 301/4885

“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.

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