SCHEMBL16672576

SCHEMBL16672576

CCC(OCC(=O)Oc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ ALKBH1 Q13686 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL16673032 0.84 ALDH1A1 (0.48) L3MBTL1ALDH1A1MEN1POLBKMT2A
SCHEMBL16672583 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL5038984 0.82 GLA (0.44) L3MBTL1ALDH1A1FFAR1MEN1POLB
SCHEMBL16672825 0.81 ATM (0.45) ESR1HIF1AATML3MBTL1CYP19A1
SCHEMBL9292224 0.80 ADRA1A (0.48) ATML3MBTL1CYP19A1ELANEALDH1A1
SCHEMBL16673394 0.80 MAPT (0.43) L3MBTL1ALDH1A1FFAR1MEN1POLB
SCHEMBL16713307 0.80 ALDH1A1 (0.39) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL16672475 0.79 ALDH1A1 (0.54) L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL28008258 0.78 FFAR1 (0.49) FFAR1
SCHEMBL22159627 0.75 CYP19A1 (0.45) ATML3MBTL1CYP19A1ELANEALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 — — EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 — — US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 — — US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 — — EP disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 — — US 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-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B ESR1 3991/4885HIF1A 4716/4885ATM 3884/4885

“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.

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