SCHEMBL3605080

SCHEMBL3605080

CCCOC(=O)C(C)C(=O)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
PIK3CD O00329 2/20 0.34
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RECQL P46063 1/20 0.32
PDE4D Q08499 3/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 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
SCHEMBL3603637 0.91 SMN1; SMN2 (0.44) POLBHPGDLMNASMN1; SMN2PDE4D
SCHEMBL3605660 0.87 CYP3A4 (0.42) PPM1BPTPN1PPP1CCPIK3CDPOLB
SCHEMBL3603382 0.83 PPM1B (0.38) PPM1BPTPN1PPP1CCPIK3CDPOLB
SCHEMBL3609815 0.82 PIK3CD (0.38) PIK3CDHPGDALDH1A1TSHR
SCHEMBL3605443 0.80 PIK3CD (0.36) PIK3CDSMN1; SMN2TSHR
SCHEMBL3600601 0.78 PIK3CD (0.36) PIK3CDALDH1A1TSHR
SCHEMBL5360827 0.78 PPM1B (0.51) PPM1BPTPN1PPP1CCPOLBHPGD
SCHEMBL3594848 0.75 RECQL (0.40) PIK3CDSMN1; SMN2RECQL
SCHEMBL3605651 0.74 SMN1; SMN2 (0.43) POLBHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL13679335 0.73 L3MBTL1 (0.40) PPM1BPTPN1PPP1CCHPGDLMNA

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 PPM1B 4329/4885PTPN1 4368/4885PPP1CC 4533/4885

“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.