SCHEMBL5060301

SCHEMBL5060301

COC(=O)COCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ ALOX5 P09917 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.44
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ FFAR1 O14842 1/20 0.42

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
SCHEMBL16673030 0.90 LMNA (0.51) TDP1CA12CA7CA9CA14
SCHEMBL24025963 0.85 ALDH1A1 (0.50) TDP1CA12CA7CA9CA14
SCHEMBL15469740 0.84 SMN1; SMN2 (0.48) TDP1KDM4ELMNAALDH1A1NPC1
SCHEMBL16672747 0.84 CA12 (0.55) TDP1CA12CA7CA9CA14
SCHEMBL29110921 0.84 TDP1 (0.61) TDP1ALOX5LMNAALDH1A1HCAR2
SCHEMBL3259593 0.83 ABCB1 (0.55) TDP1ALOX5KDM4EALDH1A1HCAR2
SCHEMBL25203021 0.83 SMN1; SMN2 (0.47) TDP1KDM4ELMNAALDH1A1NPC1
SCHEMBL1624781 0.82 ALOX5 (0.46) ALOX5LMNAALDH1A1CYP4F2CYP4A11
SCHEMBL4588876 0.82 TDP1 (0.50) TDP1CA9LMNAALDH1A1HCAR2
SCHEMBL10242706 0.81 ALDH1A1 (0.57) TDP1CA9LMNAALDH1A1HCAR2

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 9 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
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 — — US disclosed
EP-0988292-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2003-02-12 — — EP disclosed
EP-1254899-A2 Piperazine derivatives and their use as anti-inflammatory agents Schering Aktiengesellschaft (DE) 2002-11-06 — — EP disclosed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 — — 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 (2 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 TDP1 784/4885CA12 4745/4885CA7 4335/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 TDP1 4497/4885CA12 3712/4885CA7 3817/4885

“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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