SCHEMBL15034446

SCHEMBL15034446

CC(=O)Nc1cc2c(cc1OC(=O)CCCCC(S)CCS)OCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.37
▸ HSD17B10 Q99714 5/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ HPGD P15428 3/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ F3 P13726 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL608026 0.77 TSHR (0.48) KDM4EHSD17B10NPC1RAB9AKMT2A
SCHEMBL9906232 0.71 APP (0.52) KDM4EHSD17B10KMT2ALMNAMEN1
SCHEMBL15034451 0.69 MMP2 (0.39) KDM4ECYP2C19ALDH1A1HPGDGAA
SCHEMBL15034457 0.68 INSR (0.41) HSD17B10RAB9AKMT2ALMNAMEN1
SCHEMBL7778506 0.67 TSHR (0.50) HSD17B10KMT2ALMNAMEN1ALDH1A1
SCHEMBL14980450 0.66 KMT2A (0.46) KMT2AMEN1POLBCYP2C19ALDH1A1
SCHEMBL13754301 0.64 ALDH1A1 (0.53) KDM4EHSD17B10NPC1RAB9AKMT2A
SCHEMBL9906231 0.62 PAOX (0.40) LMNAALDH1A1
SCHEMBL21450560 0.62 KDM4E (0.81) KDM4EHSD17B10KMT2AMEN1POLB
SCHEMBL8104635 0.62 LMNA (0.53) HSD17B10LMNAMAPK1ALDH1A1ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE INVASC THERAPEUTICS, INC. (US) 2013-06-20 — — US disclosed
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE INVASC THERAPEUTICS, INC. (US) 2013-06-20 — — 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-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, COMT KDM4E 700/4885HSD17B10 130/4885NPC1 301/4885

“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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