SCHEMBL6761244

SCHEMBL6761244

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ESR1 P03372 4/20 0.44
▸ AKR1C4 P17516 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL6763869 0.96 ESR1 (0.44) TSHRTP53CYP3A4MAPK1ESR1
SCHEMBL6762452 0.93 TSHR (0.45) TSHRTP53CYP3A4MAPK1ESR1
SCHEMBL6759839 0.93 TSHR (0.45) TSHRTP53CYP3A4MAPK1ESR1
SCHEMBL6766053 0.92 ESR1 (0.46) TSHRTP53CYP3A4MAPK1ESR1
SCHEMBL6762519 0.91 ALDH1A1 (0.41) TSHRESR1ALDH1A1KDM4E
SCHEMBL6761346 0.91 FFAR1 (0.44) TSHRTP53CYP3A4MAPK1ESR1
SCHEMBL6763970 0.89 FFAR1 (0.46) TSHRESR1AKR1C4AKR1C3AKR1C2
SCHEMBL6762901 0.89 ESR1 (0.44) TSHRTP53CYP3A4MAPK1ESR1
SCHEMBL6759787 0.88 NR4A1 (0.45) TSHRTP53CYP3A4MAPK1ESR1
SCHEMBL6763062 0.88 ALDH1A1 (0.42) TSHRCYP3A4ALDH1A1LMNAKDM4E

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 TSHR 4615/4885TP53 4869/4885CYP3A4 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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