SCHEMBL4400003

SCHEMBL4400003

COCCOCCCC[O]

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CA2 P00918 1/20 0.38
EPHX2 P34913 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL11140966 1.00 CYP3A4 (0.38) CYP3A4TSHRCA2EPHX2ALDH1A1
SCHEMBL7977807 0.92 CYP3A4 (0.39) CYP3A4TSHRCA2EPHX2ALDH1A1
SCHEMBL3632230 0.92 CYP3A4 (0.39) CYP3A4TSHRCA2EPHX2ALDH1A1
SCHEMBL5173665 0.92 ALDH1A1 (0.41) CYP3A4TSHRCA2ALDH1A1MEN1
SCHEMBL4392852 0.92 ALDH1A1 (0.41) CYP3A4TSHRCA2ALDH1A1MEN1
SCHEMBL2399484 0.92
SCHEMBL7413040 0.90 ALDH1A1 (0.44) CYP3A4TSHRCA2EPHX2ALDH1A1
SCHEMBL4394177 0.90 ALDH1A1 (0.39) CYP3A4TSHRALDH1A1MEN1THRB
SCHEMBL4400491 0.86 ALDH1A1 (0.41) CYP3A4TSHRCA2ALDH1A1MEN1
SCHEMBL16598028 0.86 MEN1 (0.42) CYP3A4TSHRCA2EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315828-A Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2020-06-19 CN disclosed
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
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-0736541-B1 Cyclic hexapeptide antifungal agents LILLY CO ELI (US) 2002-11-27 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
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed
US-5652213-A CYCLIC HEXAPEPTIDE FUNGICIDES, PARASITICIDES ELI LILLY AND COMPANY (US) 1997-07-29 US disclosed
WO-1996037510-A1 CYCLIC PEPTIDE ANTIFUNGAL AGENTS ELI LILLY AND COMPANY (US) 1996-11-28 WO disclosed
EP-0744405-A2 Cyclic peptide antifungal agents ELI LILLY AND COMPANY (US) 1996-11-27 EP disclosed
WO-1996031228-A1 CYCLIC PEPTIDE ANTIFUNGAL AGENTS ELI LILLY AND COMPANY (US) 1996-10-10 WO disclosed
EP-0736541-A1 Cyclic hexapeptide antifungal agents ELI LILLY AND COMPANY (US) 1996-10-09 EP disclosed
EP-0268897-A1 Pyridone azo dyes BASF Aktiengesellschaft (DE) 1988-06-01 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 CYP3A4 2777/4885TSHR 3610/4885CA2 182/4885
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR CYP3A4 3876/4885TSHR 1237/4885CA2 660/4885

“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.