SCHEMBL6764046

SCHEMBL6764046

CCC(=O)Oc1c(O)cc(C(=O)O)c(C(=O)CC)c1OC(=O)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ POLB P06746 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HMGCR P04035 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ ALOX15 P16050 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ RECQL P46063 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ AKR1B1 P15121 1/20 0.32

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
SCHEMBL6759798 0.85 POLB (0.40) KMT2AMEN1CYP3A4PTGS1DRD3
SCHEMBL6759715 0.84 POLB (0.50) KMT2AMEN1CYP3A4PTGS1DRD3
SCHEMBL6764160 0.82 RECQL (0.45) KMT2AMEN1HMGCRALOX15ALDH1A1
SCHEMBL6762250 0.82 ALDH1A1 (0.42) KMT2AMEN1CYP3A4PTGS1DRD3
SCHEMBL6763908 0.80 MEN1 (0.48) KMT2AMEN1HTTALOX15ALDH1A1
SCHEMBL6762745 0.80 ESR1 (0.45) CYP3A4ALDH1A1HSD17B10TSHRTDP1
SCHEMBL6766721 0.80 TDP1 (0.49) KMT2AMEN1CYP3A4POLBLMNA
SCHEMBL6762847 0.79 PLA2G2A (0.48) KMT2AMEN1HTTALDH1A1RECQL
SCHEMBL6763127 0.79 TSHR (0.46) CYP3A4LMNAALDH1A1TSHRTDP1
SCHEMBL6759815 0.78 PLA2G2A (0.50) KMT2AMEN1HTTALDH1A1RECQL

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-20040247698-A1 Erectile Dysfunction Treatment VALENZUELA CORTES CARMEN MARIA (CL) 2004-12-09 — — 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-20040247698-A1 Erectile Dysfunction Treatment PDE3A, PDE3B, PDE12 KMT2A 2816/4885MEN1 3117/4885CYP3A4 417/4885

“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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