SCHEMBL3609381

SCHEMBL3609381

CCC(C(=O)OCC(C)C)C(=O)C1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.36
RAB9A P51151 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3606175 0.86 ALDH1A1 (0.41) RAB9ATSHRALDH1A1CYP3A4CYP2C19
SCHEMBL3599574 0.83 SMN1; SMN2 (0.35) PIK3CDTSHRSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL3603382 0.83 PPM1B (0.38) PIK3CDTSHRSMN1; SMN2ALDH1A1
SCHEMBL3611663 0.83 HTT (0.34) PIK3CDRAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL3609815 0.83 PIK3CD (0.38) PIK3CDRAB9ATSHRALDH1A1
SCHEMBL3605651 0.81 SMN1; SMN2 (0.43) RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL3589754 0.79 RECQL (0.38) TSHRSMN1; SMN2ALDH1A1
SCHEMBL5359662 0.77 ADRB2 (0.43) PIK3CDRAB9ATSHRALDH1A1
SCHEMBL9158029 0.74 TSHR (0.46) RAB9ATSHRSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL23295632 0.73 L3MBTL1 (0.39) RAB9AALDH1A1

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 PIK3CD 993/4885RAB9A 3231/4885TSHR 3572/4885

“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.