SCHEMBL6761346

SCHEMBL6761346

CCCCCC(=O)Oc1c(O)cc(C(=O)OCCCC)c(C(=O)CCCCC)c1OC(=O)CCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.44
▸ PLA2G2A P14555 1/20 0.44
▸ PLA2G5 P39877 1/20 0.44
▸ ESR1 P03372 2/20 0.43
▸ TSHR P16473 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NR4A1 P22736 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ AKR1C4 P17516 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 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
SCHEMBL6763970 0.99 FFAR1 (0.46) FFAR1PLA2G2APLA2G5ESR1TSHR
SCHEMBL6762452 0.98 TSHR (0.45) FFAR1PLA2G2APLA2G5ESR1TSHR
SCHEMBL6766053 0.96 ESR1 (0.46) FFAR1PLA2G2APLA2G5ESR1TSHR
SCHEMBL6762901 0.96 ESR1 (0.44) ESR1TSHRTDP1L3MBTL1TP53
SCHEMBL6759839 0.95 TSHR (0.45) FFAR1PLA2G2APLA2G5ESR1TSHR
SCHEMBL6759787 0.95 NR4A1 (0.45) FFAR1PLA2G2APLA2G5ESR1TSHR
SCHEMBL6761389 0.94 NR4A1 (0.46) FFAR1PLA2G2APLA2G5ESR1TSHR
SCHEMBL6761532 0.92 NR4A1 (0.48) FFAR1PLA2G2APLA2G5NR4A1MAPK1
SCHEMBL6761222 0.92 NR4A1 (0.40) FFAR1PLA2G2APLA2G5ESR1TSHR
SCHEMBL6763869 0.92 ESR1 (0.44) 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 FFAR1 2283/4885PLA2G2A 2273/4885PLA2G5 1820/4885

“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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