SCHEMBL3609941

SCHEMBL3609941

CCC(=O)C1(C(=O)OC(C)(C)C)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RECQL P46063 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL5356838 0.86 USP2 (0.44) USP2SMN1; SMN2RECQLCYP4F2CYP4A11
SCHEMBL3607173 0.81 CYP3A4 (0.38) RECQLCYP4F2CYP4A11
SCHEMBL5360795 0.81 USP2 (0.41) USP2SMN1; SMN2RECQL
SCHEMBL3603184 0.79 TSHR (0.41) SMN1; SMN2RECQL
SCHEMBL22098152 0.77 USP2 (0.43) USP2SMN1; SMN2RECQLCYP4F2CYP4A11
SCHEMBL3610181 0.77
SCHEMBL3604685 0.77 ALDH1A1 (0.36) SMN1; SMN2
SCHEMBL13317540 0.74 ALDH1A1 (0.31) SMN1; SMN2
SCHEMBL3605558 0.74 LMNA (0.45) SMN1; SMN2
SCHEMBL3598055 0.74 CYP3A4 (0.33)

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 4 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
CN-1898228-A 3- (4-tetrahydropyran) -3-oxopropanoic acid alkyl ester compound and method for preparing 4-acyltetrahydropyran UBE INDUSTRIES (JP) 2007-01-17 CN 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 USP2 3647/4885SMN1; SMN2 4625/4885RECQL 4171/4885

“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.