SCHEMBL3605660

SCHEMBL3605660

CCOC(=O)C(C)C(=O)C1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.40
TSHR P16473 2/20 0.40
PIK3CD O00329 2/20 0.36
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LGMN Q99538 1/20 0.34

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
SCHEMBL13679335 0.87 L3MBTL1 (0.40) ALDH1A1HPGDLMNAMAPTRAB9A
SCHEMBL3605080 0.87 PPM1B (0.39) CYP3A4CYP2C19ALDH1A1HPGDLMNA
SCHEMBL3609815 0.85 PIK3CD (0.38) ALDH1A1HPGDRAB9ATSHRPIK3CD
SCHEMBL3603637 0.84 SMN1; SMN2 (0.44) ALDH1A1HPGDLMNAMAPTRAB9A
SCHEMBL17504884 0.84 ALDH1A1 (0.41) ALDH1A1HPGDMAPTRAB9AKMT2A
SCHEMBL3605443 0.82 PIK3CD (0.36) TSHRPIK3CD
SCHEMBL20138944 0.81 ALDH1A1 (0.41) CYP3A4CYP2C19ALDH1A1HPGDLMNA
SCHEMBL3606175 0.81 ALDH1A1 (0.41) CYP3A4CYP2C19ALDH1A1HPGDLMNA
SCHEMBL16210542 0.81 ALDH1A1 (0.41) CYP3A4CYP2C19ALDH1A1HPGDLMNA
SCHEMBL957454 0.81 ALDH1A1 (0.41) CYP3A4CYP2C19ALDH1A1HPGDLMNA

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
WO-2024026423-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS PI3K INHIBITORS BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
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 CYP3A4 13/4885CYP2C19 118/4885ALDH1A1 312/4885

“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.