SCHEMBL4634844

SCHEMBL4634844

CCc1ccc(CN([C]=O)Cc2ccc(CC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HRH3 Q9Y5N1 3/20 0.39
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HPGD P15428 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
MGLL Q99685 2/20 0.36
PLK1 P53350 1/20 0.36
EGFR P00533 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35

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
SCHEMBL4632808 0.77 PYCR1 (0.51)
SCHEMBL26801 0.76 ALDH1A1 (0.60) ALDH1A1CA2
SCHEMBL968494 0.74 ALDH1A1 (0.52) ALDH1A1TP53MGLL
SCHEMBL10012639 0.73 CYP2A6 (0.41) CYP2A6ALDH1A1CA2TP53TAAR1
SCHEMBL10589081 0.72 CYP2A6 (0.50) CYP2A6ALDH1A1CA2TP53TAAR1
SCHEMBL3348229 0.72 CYP2A6 (0.50) CYP2A6ALDH1A1CA2TP53TAAR1
SCHEMBL5541684 0.71 TP53 (0.48) ALDH1A1TP53TAS2R14
SCHEMBL5548403 0.71 ALDH1A1 (0.48) ALDH1A1TP53TAS2R14
SCHEMBL5540773 0.71 ALDH1A1 (0.48) ALDH1A1
SCHEMBL5542194 0.71 KCNA5 (0.50) ALDH1A1TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20050208425-A1 Imide compound and optical recording media made by using the same YAMAMOTO CHEMICALS, INC. (JP) 2005-09-22 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-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 CYP2A6 1218/4885ALDH1A1 838/4885HRH3 842/4885
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR CYP2A6 1778/4885ALDH1A1 2071/4885HRH3 1510/4885
US-20050208425-A1 Imide compound and optical recording media made by using the same CRY1, MTNR1A, TRPA1 CYP2A6 2298/4885ALDH1A1 1336/4885HRH3 1637/4885

“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.