SCHEMBL1045690

SCHEMBL1045690

COc1ccc(OC)c([O])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
THRB P10828 1/20 0.54
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48

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
SCHEMBL595279 0.81 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL9487248 0.78 CA12 (0.81) CA12CA1CA2CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL29350371 0.77 CA12 (1.00) CA12CA1CA2CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL27777905 0.77 CA12 (1.00) CA12CA1CA2CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL481491 0.77 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL1402343 0.77 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL3952587 0.76 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL1807530 0.76 ACHE (0.62) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL196223 0.75 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL5746529 0.74 CA2 (0.38) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114423742-B Benzotriazole-based compound, light absorber and resin composition 三井化学株式会社 2024-05-28 CN disclosed
CN-117466830-A Benzotriazole-based compound, light absorber and resin composition 三井化学株式会社 2024-01-30 CN disclosed
WO-2024005030-A1 DIPHENYLETHENE-BASED COMPOUND, LIGHT ABSORBER, RESIN COMPOSITION, AND USE THEREOF 山本化成株式会社 2024-01-04 WO disclosed
CN-111315828-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-09-29 CN disclosed
CN-114423742-A Benzotriazole compound, light absorber, and resin composition 三井化学株式会社 2022-04-29 CN disclosed
EP-3611175-B1 NAPHTHALOCYANINE COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF YAMAMOTO CHEMICALS INC (JP) 2022-02-09 EP disclosed
US-11174274-B2 Naphthalocyanine compound, method for producing same, and use thereof YAMAMOTO CHEMICALS, INC. (JP) 2021-11-16 US disclosed
EP-2123695-B1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN MITSUI CHEMICALS INC (JP) 2021-06-23 EP disclosed
US-20210107924-A1 NAPHTHALOCYANINE COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF YAMAMOTO CHEMICALS, INC. (JP) 2021-04-15 US disclosed
WO-2021054459-A1 BENZOTRIAZOLE COMPOUND, LIGHT ABSORBER, AND RESIN COMPOSITION 三井化学株式会社 2021-03-25 WO disclosed
EP-0818512-B1 Quinoline derivative and use of same MITSUI CHEMICALS INC (JP) 2002-10-02 EP disclosed
US-6407242-B1 REACTING A PHTHALIMIDE COMPOUND WITH A QUINOLINE COMPOUND;ELECTROLUMINESCENCE MITSUI CHEMICALS, INC. (JP) 2002-06-18 US disclosed
US-6132640-A ZINC COMPLEXES OF QUINOLINE MITSUI CHEMICALS, INC. (JP) 2000-10-17 US 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
EP-0818512-A1 Quinoline derivative and use of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-01-14 EP disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
EP-0351615-B1 PROCESS FOR THE PREPARATION OF 4-ALKOXY-2-HYDROXYBENZOPHENONE-5-SULFONIC ACIDS BASF Aktiengesellschaft (DE) 1992-10-28 EP disclosed
US-5072034-A PREPARATION OF 4-ALKOXY-2-HYDROXYBENZOPHENONE-5-SULFONIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0351615-A1 Process for the preparation of 4-alkoxy-2-hydroxybenzophenone-5-sulfonic acids BASF Aktiengesellschaft (DE) 1990-01-24 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-20210107924-A1 NAPHTHALOCYANINE COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF MRPS9, INTS9, RPL19 CA12 1314/4885CA1 734/4885CA2 1085/4885
US-11174274-B2 Naphthalocyanine compound, method for producing same, and use thereof MRPS9, INTS9, RPL19 CA12 1314/4885CA1 734/4885CA2 1085/4885

“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.