SCHEMBL3607173

SCHEMBL3607173

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.32
OPRM1 P35372 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31
GLA P06280 1/20 0.30
RECQL P46063 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16244457 0.87 CYP2C19 (0.39) CYP3A4CYP2C9PKMCYP2C19ALDH1A1
SCHEMBL15125183 0.86 NPSR1 (0.38) NPSR1OPRM1CYP4F2CYP4A11
SCHEMBL2031559 0.84 CYP3A4 (0.44) CYP3A4CYP2C9PKMCYP2C19ALDH1A1
SCHEMBL3603184 0.84 TSHR (0.41) CYP3A4CYP2C19ALDH1A1NPSR1OPRM1
SCHEMBL3610181 0.81
SCHEMBL3604685 0.81 ALDH1A1 (0.36) CYP3A4CYP2C9CYP2C19ALDH1A1NPSR1
SCHEMBL3609941 0.81 USP2 (0.38) CYP4F2CYP4A11RECQL
SCHEMBL1662363 0.79 CYP3A4 (0.41) CYP3A4CYP2C9PKMCYP2C19ALDH1A1
SCHEMBL13317540 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3303018 0.79 CYP2C19 (0.41) CYP3A4CYP2C9PKMCYP2C19ALDH1A1

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 6 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 claimed
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-20100093842-A1 Laulimalide Analogs and Uses Thereof EISAI CO. LTD. 2010-04-15 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 (2 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-20100093842-A1 Laulimalide Analogs and Uses Thereof LPXN, MLX, ZYX CYP3A4 4193/4885CYP2C9 3594/4885PKM 185/4885
US-20070043107-A1 Processes for preparing alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound and 4-acyltetrahydropyrane DHPS, OXER1, CYP4A11 CYP3A4 13/4885CYP2C9 70/4885PKM 2696/4885

“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.