SCHEMBL3603637

SCHEMBL3603637

CCCCOC(=O)C(C)C(=O)C1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 2/20 0.35
TSHR P16473 3/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
CASP1 P29466 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
SCHEMBL3605080 0.91 PPM1B (0.39) SMN1; SMN2POLBLMNAALDH1A1HPGD
SCHEMBL3605660 0.84 CYP3A4 (0.42) POLBLMNAALDH1A1MAPTRAB9A
SCHEMBL3605651 0.84 SMN1; SMN2 (0.43) SMN1; SMN2POLBLMNAALDH1A1ATM
SCHEMBL5317281 0.80 SMN1; SMN2 (0.41) SMN1; SMN2POLBLMNAALDH1A1MAPT
SCHEMBL3609815 0.80 PIK3CD (0.38) ALDH1A1RAB9ANPC1HPGDTSHR
SCHEMBL5353054 0.79 SMN1; SMN2 (0.50) SMN1; SMN2POLBLMNAALDH1A1ATM
SCHEMBL3605443 0.77 PIK3CD (0.36) SMN1; SMN2TSHRHTT
SCHEMBL3600601 0.76 PIK3CD (0.36) ALDH1A1TSHR
SCHEMBL6747488 0.74 ALDH1A1 (0.58) SMN1; SMN2LMNAALDH1A1ATMMAPT
SCHEMBL3603382 0.74 PPM1B (0.38) SMN1; SMN2POLBLMNAALDH1A1HPGD

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 SMN1; SMN2 4625/4885POLB 3600/4885LMNA 3899/4885

“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.