SCHEMBL3603184

SCHEMBL3603184

CCOC(=O)C1(C(=O)CC)CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
RECQL P46063 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 6/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.35
SOAT1 P35610 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL942419 0.89 TSHR (0.46) TSHRRECQLCYP3A4CYP2C19ALDH1A1
SCHEMBL9515002 0.87 TSHR (0.48) TSHRRECQLCYP3A4CYP2C19ALDH1A1
SCHEMBL6687683 0.87 TSHR (0.44) TSHRRECQLCYP3A4CYP2C19ALDH1A1
SCHEMBL9515523 0.87 TSHR (0.48) TSHRRECQLCYP3A4CYP2C19ALDH1A1
SCHEMBL3604685 0.86 ALDH1A1 (0.36) TSHRCYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL5363175 0.84 TSHR (0.42) TSHRRECQLCYP3A4CYP2C19ALDH1A1
SCHEMBL3607173 0.84 CYP3A4 (0.38) TSHRRECQLCYP3A4CYP2C19ALDH1A1
SCHEMBL3605558 0.83 LMNA (0.45) TSHRCYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL3598055 0.83 CYP3A4 (0.33) TSHRCYP3A4CYP2C19ALDH1A1GAA
SCHEMBL13545112 0.83 SMN1; SMN2 (0.41) ALDH1A1LMNAPOLBKMT2AGAA

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 TSHR 3572/4885RECQL 4171/4885CYP3A4 13/4885

“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.