SCHEMBL6762243

SCHEMBL6762243

CCCC(=O)Oc1c(O)cc(C(=O)OC)c(C(=O)CCC)c1OC(=O)CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ FASN P49327 1/20 0.41
▸ HMGCR P04035 1/20 0.40
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA7 P43166 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ CA14 Q9ULX7 3/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ GAA P10253 4/20 0.35
▸ LMNA P02545 4/20 0.35
▸ POLB P06746 3/20 0.35

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
SCHEMBL6761434 0.90 FFAR1 (0.40) RECQLALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL6766244 0.88 PLA2G2A (0.46) ALDH1A1MAPTFFAR1PLA2G2APLA2G5
SCHEMBL6763062 0.88 ALDH1A1 (0.42) TDP1TSHRRECQLALDH1A1HPGD
SCHEMBL6762804 0.87 PLA2G2A (0.48) ALDH1A1MAPTFFAR1PLA2G2APLA2G5
SCHEMBL6762519 0.87 ALDH1A1 (0.41) TDP1TSHRRECQLALDH1A1HPGD
SCHEMBL6764160 0.86 RECQL (0.45) TDP1TSHRRECQLALDH1A1HPGD
SCHEMBL6763869 0.85 ESR1 (0.44) TDP1TSHRALDH1A1HSD17B10L3MBTL1
SCHEMBL6761244 0.84 TSHR (0.45) TSHRALDH1A1LMNAKDM4E
SCHEMBL6759798 0.83 POLB (0.40) TDP1TSHRRECQLHPGDHMGCR
SCHEMBL6762856 0.81 TDP1 (0.47) TDP1TSHRALDH1A1HPGDGAA

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 TDP1 149/4885TSHR 4615/4885RECQL 1196/4885

“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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