SCHEMBL15034474

SCHEMBL15034474

COC(C)(C)Nc1cc2c(cc1OC(=O)CCCCC1CCSS1)OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 7/20 0.41
▸ PTPRF P10586 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ ACHE P22303 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TARDBP Q13148 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38

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
SCHEMBL13495590 0.80 KMT2A (0.48) BCHEACHEHSD17B10KMT2ATARDBP
SCHEMBL9906241 0.77 MAPT (0.48) HSD17B10KMT2ACYP2C9MEN1ALDH1A1
SCHEMBL9906233 0.77 HSD17B10 (0.42) BCHEACHEHSD17B10KMT2ATARDBP
SCHEMBL9906234 0.75 KMT2A (0.46) BCHEACHEHSD17B10KMT2ATARDBP
SCHEMBL15034431 0.74 MAPT (0.38) BCHEPTPRFPTPN2PTPN1KMT2A
SCHEMBL9906237 0.71 HSD17B10 (0.38) BCHEACHEHSD17B10KMT2ATARDBP
SCHEMBL15034449 0.71 BCHE (0.37) BCHEACHEHSD17B10KMT2ACYP2C9
SCHEMBL9910052 0.70 HSD17B10 (0.66) BCHEPTPRFPTPN2PTPN1PPARG
SCHEMBL12972713 0.70 HSD17B10 (0.66) BCHEPTPRFPTPN2PTPN1PPARG
SCHEMBL9906248 0.69 KMT2A (0.44) BCHEPTPRFPTPN2PTPN1ACHE

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 BCHE 1564/4885PTPRF 2090/4885PTPN2 2358/4885

“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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