SCHEMBL6764160

SCHEMBL6764160

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ FASN P49327 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HMGCR P04035 1/20 0.36
▸ AKR1B1 P15121 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ PLA2G2A P14555 1/20 0.35
▸ PLA2G5 P39877 1/20 0.35
▸ BCL9 O00512 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ HSD17B3 P37058 1/20 0.33
▸ NR4A1 P22736 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
SCHEMBL6763908 0.89 MEN1 (0.48) RECQLALOX15ALDH1A1HPGDTSHR
SCHEMBL6762847 0.88 PLA2G2A (0.48) RECQLALDH1A1KDM4EMEN1KMT2A
SCHEMBL6759815 0.87 PLA2G2A (0.50) RECQLALDH1A1KDM4EMEN1KMT2A
SCHEMBL6762243 0.86 TDP1 (0.43) RECQLALOX15ALDH1A1HPGDTSHR
SCHEMBL6763062 0.85 ALDH1A1 (0.42) RECQLALOX15ALDH1A1HPGDTSHR
SCHEMBL6764046 0.82 KMT2A (0.42) RECQLALOX15ALDH1A1HPGDTSHR
SCHEMBL6763869 0.82 ESR1 (0.44) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL6762856 0.81 TDP1 (0.47) ALDH1A1HPGDTSHRTDP1MEN1
SCHEMBL6761434 0.76 FFAR1 (0.40) RECQLALDH1A1HPGDKDM4EMEN1
SCHEMBL6762751 0.75 NR4A1 (0.44) ALOX15ALDH1A1FFAR1PLA2G2APLA2G5

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 RECQL 1196/4885ALOX15 1161/4885ALDH1A1 1744/4885

“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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