SCHEMBL3600601

SCHEMBL3600601

CC(C)OC(=O)C(C)C(=O)C1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.36
OPRK1 P41145 3/20 0.33
BRPF1 P55201 1/20 0.33
TSHR P16473 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3605443 0.84 PIK3CD (0.36) PIK3CDBRPF1TSHR
SCHEMBL3605660 0.81 CYP3A4 (0.42) PIK3CDTSHRALDH1A1
SCHEMBL3599574 0.80 SMN1; SMN2 (0.35) PIK3CDOPRK1BRPF1TSHRNR1H4
SCHEMBL3609815 0.79 PIK3CD (0.38) PIK3CDTSHRALDH1A1
SCHEMBL3594848 0.79 RECQL (0.40) PIK3CD
SCHEMBL3605080 0.78 PPM1B (0.39) PIK3CDTSHRALDH1A1
SCHEMBL5361281 0.77 PIK3CD (0.39) PIK3CDOPRK1BRPF1TSHRNR1H4
SCHEMBL3603637 0.76 SMN1; SMN2 (0.44) TSHRALDH1A1
SCHEMBL888759 0.74 PIK3CD (0.42) PIK3CDBRPF1TSHRALDH1A1
SCHEMBL12428680 0.72 PIK3CD (0.41) PIK3CDBRPF1TSHR

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 993/4885OPRK1 660/4885BRPF1 1134/4885

“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.