SCHEMBL5690469

SCHEMBL5690469

CC(OC=O)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.41
ADRA2A P08913 4/20 0.40
ADRA2B P18089 4/20 0.40
ADRA2C P18825 4/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40
AOC3 Q16853 1/20 0.40
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL17616751 0.82 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A
SCHEMBL18258616 0.81 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL17616372 0.81 ALDH1A1 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A
SCHEMBL3113298 0.79 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A
SCHEMBL11672371 0.79 ALDH1A1 (0.54) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A
SCHEMBL6248166 0.79 ALDH1A1 (0.54) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A
SCHEMBL5690852 0.79 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A
SCHEMBL9572760 0.78 AOC3 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1AOC3
SCHEMBL5932125 0.77 ALDH1A1 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL10416031 0.77 ALDH1A1 (0.52) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A

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
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
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed
US-4749691-A Peptide, process for preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-07 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-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 CYP1A2 308/4885CYP2C9 167/4885CYP2C19 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 2451/4885CYP2C9 1767/4885CYP2C19 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.