SCHEMBL4264883

SCHEMBL4264883

CCOc1cc(C)c(C(=O)CCC(=O)O)cc1OCC

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ HTT P42858 1/20 0.51
▸ TSHR P16473 4/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ DGAT1 O75907 1/20 0.47
▸ CYP2C19 P33261 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 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
Trepibutone SCHEMBL29441541 0.87 TSHR (0.61) KMT2AMEN1HTTTSHRHSD17B10
Trepibutone SCHEMBL25039 0.87 TSHR (0.61) KMT2AMEN1HTTTSHRHSD17B10
SCHEMBL11686404 0.86 TSHR (0.47) KMT2AMEN1TSHRHSD17B10CYP3A4
SCHEMBL11684059 0.84 HMGCR (0.51) KMT2AMEN1HTTTSHRHSD17B10
SCHEMBL11683833 0.80 TSHR (0.51) TSHRHSD17B10CYP3A4DGAT1LMNA
SCHEMBL11683269 0.79 TSHR (0.51) KMT2AMEN1HTTTSHRHSD17B10
SCHEMBL8214127 0.78 TAS1R3 (0.55) KMT2AMEN1HTTTSHRHSD17B10
SCHEMBL11686088 0.78 TSHR (0.72) HTTTSHRHSD17B10CYP3A4LMNA
SCHEMBL4264820 0.77 TSHR (0.58) KMT2AMEN1TSHRHSD17B10CYP2C19
SCHEMBL11833308 0.76 HMGCR (0.49) KMT2AMEN1HTTTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3943169-A DIURETIC, SPASMOLYTIC TAKEDA CHEMICAL INDUSTRIES, LTD (JA) 1976-03-09 — — US claimed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 — — US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 — — US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 — — US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 — — EP disclosed
US-4029699-A CHOLERETIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-06-14 — — US disclosed
US-4017517-A SPASMOLYTIC, CHOLERETIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-04-12 — — US disclosed
US-3943169-A DIURETIC, SPASMOLYTIC TAKEDA CHEMICAL INDUSTRIES, LTD (JA) 1976-03-09 — — 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 KMT2A 410/4885MEN1 4668/4885HTT 1132/4885

“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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