SCHEMBL6762519

SCHEMBL6762519

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.36
▸ FASN P49327 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ SLC5A1 P13866 1/20 0.36
▸ SLC5A2 P31639 1/20 0.36
▸ NR4A1 P22736 1/20 0.34

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 0.93 ESR1 (0.44) ALDH1A1HSD17B10TSHRTDP1ESR1
SCHEMBL6761244 0.91 TSHR (0.45) ALDH1A1TSHRKDM4EESR1
SCHEMBL6763062 0.91 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRTDP1HPGD
SCHEMBL6761222 0.90 NR4A1 (0.40) ALDH1A1TSHRTDP1ESR1NR4A1
SCHEMBL6759787 0.89 NR4A1 (0.45) ALDH1A1TSHRESR1NR4A1
SCHEMBL6761389 0.88 NR4A1 (0.46) ALDH1A1TSHRESR1NR4A1
SCHEMBL6762243 0.87 TDP1 (0.43) ALDH1A1HSD17B10TSHRTDP1HPGD
SCHEMBL6762250 0.86 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL6762901 0.85 ESR1 (0.44) ALDH1A1HSD17B10TSHRTDP1ESR1
SCHEMBL6761346 0.84 FFAR1 (0.44) ALDH1A1TSHRTDP1ESR1NR4A1

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 ALDH1A1 1744/4885HSD17B10 192/4885TSHR 4615/4885

“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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