SCHEMBL3589754

SCHEMBL3589754

CCC(C(=O)OC(C)(C)C)C(=O)C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3611663 0.83 HTT (0.34) SMN1; SMN2ALDH1A1MEN1TSHRKMT2A
SCHEMBL3606175 0.83 ALDH1A1 (0.41) RECQLALDH1A1TSHRKMT2A
SCHEMBL3603382 0.80 PPM1B (0.38) SMN1; SMN2ALDH1A1TSHR
SCHEMBL3599574 0.80 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1TSHR
SCHEMBL3594848 0.80 RECQL (0.40) RECQLUSP2SMN1; SMN2KMT2A
SCHEMBL3609381 0.79 PIK3CD (0.36) SMN1; SMN2ALDH1A1TSHR
SCHEMBL3605651 0.78 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MEN1TSHRKMT2A
SCHEMBL1344807 0.74 CTSK (0.36) ALDH1A1MEN1KMT2A
SCHEMBL1930848 0.72 CTSS (0.36) RECQLUSP2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL1930847 0.72 CTSS (0.36) RECQLUSP2SMN1; SMN2ALDH1A1KMT2A

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.