SCHEMBL6761222

SCHEMBL6761222

CCCCC(=O)Oc1c(O)cc(C(=O)OCCC)c(C(=O)CCCC)c1OC(=O)CCCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ PLA2G2A P14555 1/20 0.39
▸ PLA2G5 P39877 1/20 0.39
▸ ESR1 P03372 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ AKR1C4 P17516 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36

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
SCHEMBL6759787 0.96 NR4A1 (0.45) NR4A1ALDH1A1FFAR1PLA2G2APLA2G5
SCHEMBL6761389 0.95 NR4A1 (0.46) NR4A1ALDH1A1FFAR1PLA2G2APLA2G5
SCHEMBL6762901 0.95 ESR1 (0.44) ALDH1A1ESR1TSHRTDP1L3MBTL1
SCHEMBL6759839 0.94 TSHR (0.45) ALDH1A1FFAR1PLA2G2APLA2G5ESR1
SCHEMBL6761346 0.92 FFAR1 (0.44) NR4A1ALDH1A1FFAR1PLA2G2APLA2G5
SCHEMBL6762452 0.92 TSHR (0.45) NR4A1ALDH1A1FFAR1PLA2G2APLA2G5
SCHEMBL6762751 0.91 NR4A1 (0.44) NR4A1ALDH1A1FFAR1PLA2G2APLA2G5
SCHEMBL6763970 0.91 FFAR1 (0.46) NR4A1ALDH1A1FFAR1PLA2G2APLA2G5
SCHEMBL6766053 0.91 ESR1 (0.46) NR4A1ALDH1A1FFAR1PLA2G2APLA2G5
SCHEMBL6762519 0.90 ALDH1A1 (0.41) NR4A1ALDH1A1ESR1TSHRTDP1

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 NR4A1 1667/4885ALDH1A1 1744/4885FFAR1 2283/4885

“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.

Send feedback