SCHEMBL6763869

SCHEMBL6763869

CCCCOC(=O)c1cc(O)c(OC(=O)CCC)c(OC(=O)CCC)c1C(=O)CCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.44
▸ TSHR P16473 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ AKR1C4 P17516 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL6761244 0.96 TSHR (0.45) ESR1TSHRTP53CYP3A4MAPK1
SCHEMBL6762901 0.93 ESR1 (0.44) ESR1TSHRTDP1L3MBTL1TP53
SCHEMBL6762519 0.93 ALDH1A1 (0.41) ESR1TSHRTDP1ALDH1A1HSD17B10
SCHEMBL6761346 0.92 FFAR1 (0.44) ESR1TSHRTDP1L3MBTL1TP53
SCHEMBL6763970 0.91 FFAR1 (0.46) ESR1TSHRTDP1L3MBTL1AKR1C4
SCHEMBL6759839 0.89 TSHR (0.45) ESR1TSHRTP53CYP3A4MAPK1
SCHEMBL6762452 0.89 TSHR (0.45) ESR1TSHRTP53CYP3A4MAPK1
SCHEMBL6763062 0.89 ALDH1A1 (0.42) TSHRTDP1L3MBTL1CYP3A4ALDH1A1
SCHEMBL6766053 0.88 ESR1 (0.46) ESR1TSHRTP53CYP3A4MAPK1
SCHEMBL6761222 0.88 NR4A1 (0.40) ESR1TSHRTDP1L3MBTL1TP53

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 ESR1 189/4885TSHR 4615/4885TDP1 149/4885

“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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