SCHEMBL3594848

SCHEMBL3594848

CC(C(=O)OC(C)(C)C)C(=O)C1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
PIK3CD O00329 2/20 0.34
CCR2 P41597 1/20 0.33
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3605443 0.81 PIK3CD (0.36) SMN1; SMN2HRH3PIK3CDADRB2ADRB1
SCHEMBL3589754 0.80 RECQL (0.38) RECQLUSP2SMN1; SMN2KMT2A
SCHEMBL3600601 0.79 PIK3CD (0.36) PIK3CD
SCHEMBL3605660 0.78 CYP3A4 (0.42) RECQLPIK3CDKMT2A
SCHEMBL3609815 0.77 PIK3CD (0.38) PIK3CDADRB2ADRB1ADRB3
SCHEMBL5317241 0.76 KMT2A (0.47) RECQLAAK1CA12CA14KMT2A
SCHEMBL3605080 0.75 PPM1B (0.39) RECQLSMN1; SMN2PIK3CD
SCHEMBL2461695 0.74 RECQL (0.46) RECQLUSP2SMN1; SMN2HRH3PIK3CD
SCHEMBL3603637 0.73 SMN1; SMN2 (0.44) SMN1; SMN2KMT2A
SCHEMBL888759 0.72 PIK3CD (0.42) SMN1; SMN2HRH3PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741497-B2 Processes for preparing alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound and 4-acyltetrahydropyrane UBE INDUSTRIES, LTD. (JP) 2010-06-22 US disclosed
US-20070043107-A1 Processes for preparing alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound and 4-acyltetrahydropyrane UBE INDUSTRIES, LTD. (JP) 2007-02-22 US disclosed
EP-1700852-A1 PROCESSES FOR PRODUCING ALKYL 3-(4-TETRAHYDROPYRANYL)-3-OXOPROPIONATE COMPOUND AND 4-ACYLTETRAHYDROPYRAN Ube Industries, Ltd. (JP) 2006-09-13 EP 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-20070043107-A1 Processes for preparing alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound and 4-acyltetrahydropyrane DHPS, OXER1, CYP4A11 RECQL 4171/4885USP2 3647/4885SMN1; SMN2 4625/4885

“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.