SCHEMBL2409147

SCHEMBL2409147

CC(C)(C)CC(=O)NC(=O)CC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C19 P33261 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 6/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 2/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL13040558 0.86 SMN1; SMN2 (0.47) CYP1A2CYP3A4CYP2C19KMT2AMEN1
SCHEMBL3648566 0.84 CYP3A4 (0.44) CYP1A2CYP3A4CYP2C19KMT2AMEN1
SCHEMBL27253773 0.82 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19KMT2AMEN1
SCHEMBL1515251 0.81
SCHEMBL23418702 0.80 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19KMT2AMEN1
SCHEMBL8342503 0.80 SMN1; SMN2 (0.42) CYP1A2CYP3A4CYP2C19KMT2AMEN1
SCHEMBL1401041 0.80 KMT2A (0.50) CYP1A2CYP3A4CYP2C19KMT2AMEN1
SCHEMBL18799389 0.79
SCHEMBL681118 0.79
SCHEMBL9747537 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539072-A2 HIGH CAPACITY ION CHROMATOGRAPHY STATIONARY PHASE AND METHOD OF FORMING Dionex Corporation (US) 2013-01-02 EP disclosed
WO-2011106720-A2 THE INTERNATIONAL BUREAU ACKNOWLEDGES RECEIPT, ON [DATE], OF AMENDMENTS TO THE CLAIMS UNDER PCT ARTICLE 19(1). HOWEVER, THE APPLICANT IS URGENTLY REQUESTED TO SUBMIT REPLACEMENT SHEET(S) CONTAINING A COMPLETE SET OF CLAIMS IN REPLACEMENT OF ALL THE CLAIMS ORIGINALLY FILED, IN CONFORMITY WITH PCT RULE 46.5(A). HIGH CAPACITY ION CHROMATOGRAPHY STATIONARY PHASE AND METHOD OF FORMING DIONEX CORPORATION (US) 2011-09-01 WO disclosed
US-7094516-B2 Benzobisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2006-08-22 US disclosed
EP-1247655-B1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS MITSUI CHEMICALS INC (JP) 2006-05-31 EP disclosed
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 US disclosed
EP-1262966-B1 Optical recording medium and novel azaporphyrin compound MITSUI CHEMICALS INC (JP) 2006-04-12 EP disclosed
US-6969764-B2 Mono-, di-, and triazaporphyrin compounds optionally in the form of a metal or metalloid complex MITSUI CHEMICALS, INC. (JP) 2005-11-29 US disclosed
EP-1180765-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS INC (JP) 2005-04-06 EP disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 EP disclosed
US-20030194646-A1 Mono-, di-, and triazaporphyrin compounds optionally in the form of a metal or metalloid complex MITSUI CHEMICALS, INC. (JP) 2003-10-16 US disclosed
US-6627288-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS, INC. (JP) 2003-09-30 US disclosed
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2003-05-15 US disclosed
EP-1262966-A2 Optical recording medium and novel azaporphyrin compound Mitsui Chemicals, Inc. (JP) 2002-12-04 EP disclosed
EP-1247655-A1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS Mitsui Chemicals, Inc. (JP) 2002-10-09 EP disclosed
EP-1245571-A1 BENZBISAZOLE COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-10-02 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 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 (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-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 CYP1A2 308/4885CYP3A4 354/4885CYP2C19 182/4885
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR CYP1A2 2451/4885CYP3A4 3876/4885CYP2C19 2583/4885

“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.