SCHEMBL4397637

SCHEMBL4397637

CC(C)c1ccc(C[N]Cc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
PYCR1 P32322 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TYR P14679 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
CNR2 P34972 1/20 0.38
NFE2L2 Q16236 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL13569807 0.81 IDO1 (0.47) IDO1PYCR1L3MBTL1RAB9ANPC1
SCHEMBL9211197 0.79 EPHX1 (0.40) IDO1PYCR1L3MBTL1RAB9ANPC1
SCHEMBL8399381 0.76 F11 (0.47) IDO1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3956146 0.76 IDO1 (0.56) IDO1PYCR1L3MBTL1RAB9ANPC1
SCHEMBL10729588 0.76 IDO1 (0.56) IDO1PYCR1L3MBTL1RAB9ANPC1
Benzene SCHEMBL5833599 0.74 TYR (0.52) IDO1TYRALDH1A1LMNACNR2
SCHEMBL104124 0.74 TYR (0.58) IDO1RAB9ANPC1TYRALDH1A1
SCHEMBL139408 0.74 L3MBTL1 (0.56) IDO1PYCR1L3MBTL1RAB9ANPC1
SCHEMBL4841473 0.73 CALM1 (0.57) IDO1L3MBTL1RAB9ANPC1HTR1D
SCHEMBL6548229 0.73 ALDH1A1 (0.57) IDO1L3MBTL1RAB9ANPC1MEN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-7405030-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2008-07-29 US disclosed
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed
US-20070259151-A1 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-11-08 US disclosed
US-7259260-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-08-21 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
US-7094516-B2 Benzobisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2006-08-22 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP 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-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
EP-1445115-A1 IMIDE COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-08-11 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 (3 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 IDO1 3192/4885PYCR1 3160/4885L3MBTL1 3621/4885
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 IDO1 552/4885PYCR1 2904/4885L3MBTL1 1271/4885
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR IDO1 3455/4885PYCR1 1260/4885L3MBTL1 1083/4885

“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.