SCHEMBL6043900

SCHEMBL6043900

CN(C)c1ccc2c(C(=O)O)c(O)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.47
▸ SLC16A3 O15427 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ MAPT P10636 5/20 0.41
▸ HPGD P15428 4/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LCK P06239 2/20 0.39
▸ TERT O14746 1/20 0.38
▸ APP P05067 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 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
SCHEMBL19203353 0.78 CSNK2A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL732139 0.78 CA12 (0.48) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL30178354 0.78 CA12 (0.48) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL13573125 0.77 CA1 (0.50) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL3914003 0.76 KDM4E (0.53) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL3871771 0.75 KDM4E (0.52) NSD2ALDH1A1KDM4EMAPTHPGD
SCHEMBL4028463 0.75 ERN1 (0.56) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL29678802 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL3914780 0.75 KDM4E (0.52) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL1408498 0.74 NSD2 (0.57) NSD2SLC16A3ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142311-A1 Prodan-containing nucleotide and use thereof KYOTO UNIVERSITY 2006-06-29 — — 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-20060142311-A1 Prodan-containing nucleotide and use thereof PNP, NUDT1, NT5C2 NSD2 2387/4885SLC16A3 3415/4885ALDH1A1 1902/4885

“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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