SCHEMBL3687533

SCHEMBL3687533

Cc1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.68
P2RY14 Q15391 1/20 0.60
TNKS O95271 1/20 0.60
PARP1 P09874 1/20 0.60
TNKS2 Q9H2K2 1/20 0.60
PARP2 Q9UGN5 1/20 0.60
ALOX5 P09917 1/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
NFKB1 P19838 1/20 0.58
NPY1R P25929 1/20 0.58
NFKB2 Q00653 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL4659168 0.88 MAOB (0.78) MAOBALOX5CA1CA2CA9
SCHEMBL27430952 0.87 MAOB (0.62) MAOBP2RY14TNKSPARP1TNKS2
SCHEMBL11673327 0.85 MAOB (0.58) MAOBP2RY14TNKSPARP1TNKS2
SCHEMBL5768216 0.84 MAOB (0.72) MAOBTNKSPARP1TNKS2ALOX5
SCHEMBL31105656 0.84 MAOB (0.71) MAOBTNKSPARP1TNKS2ALOX5
SCHEMBL731363 0.84 MAOB (0.71) MAOBTNKSPARP1TNKS2ALOX5
SCHEMBL733971 0.82 MAOB (0.61) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL11850978 0.82 MAOB (0.80) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL11699010 0.82 MAOB (0.78) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL17427775 0.82 MAOB (0.62) MAOBTNKSPARP1TNKS2PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110386909-B Method for synthesizing benzofuran derivative through copper-free ligand-free palladium catalyst 中国科学院青岛生物能源与过程研究所 2023-07-07 CN disclosed
CN-109574965-B Preparation and application of 2- (4-substituent phenyl) -3-formamide benzofuran alkene cyanide compound 上海交通大学 2022-12-30 CN disclosed
US-20210384446-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2021-12-09 US disclosed
US-11133478-B2 Aromatic amine derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2021-09-28 US disclosed
US-11033889-B2 Palladium acyclic diaminocarbene complexes as precatalysts for Hiyama coupling and the tandem one-pot fluoride free Hiyama coupling/cyclization for the synthesis of biologically relevant INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2021-06-15 US disclosed
US-11033889-B2 Palladium acyclic diaminocarbene complexes as precatalysts for Hiyama coupling and the tandem one-pot fluoride free Hiyama coupling/cyclization for the synthesis of biologically relevant INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2021-06-15 US disclosed
US-20210057649-A1 PHOTOELECTRIC CONVERSION ELEMENT AND IMAGING DEVICE SONY CORPORATION (JP) 2021-02-25 US disclosed
US-20200122132-A1 PALLADIUM ACYCLIC DIAMINOCARBENE COMPLEXES AS PRECATALYSTS FOR HIYAMA COUPLING AND THE TANDEM ONE-POT FLUORIDE FREE HIYAMA COUPLING/CYCLIZATION FOR THE SYNTHESIS OF BIOLOGICALLY RELEVANT INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2020-04-23 US disclosed
US-20200122132-A1 PALLADIUM ACYCLIC DIAMINOCARBENE COMPLEXES AS PRECATALYSTS FOR HIYAMA COUPLING AND THE TANDEM ONE-POT FLUORIDE FREE HIYAMA COUPLING/CYCLIZATION FOR THE SYNTHESIS OF BIOLOGICALLY RELEVANT INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2020-04-23 US disclosed
CN-110386909-A A method of benzofuran derivatives are synthesized by no copper catalysis of ligand-free palladium agent 中国科学院青岛生物能源与过程研究所 2019-10-29 CN disclosed
US-4117128-A SULFONYL BENZOFURANS AND BENZOTHIOPHENES HAVING CORONARY VASODILATOR ACTIVITY SMITHKLINE CORPORATION (US) 1978-09-26 US disclosed
US-4024273-A Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity SMITHKLINE CORPORATION (US) 1977-05-17 US disclosed
US-4022772-A OPTICAL BRIGHTENING CIBA-GEIGY CORPORATION (US) 1977-05-10 US disclosed
US-4013642-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed
US-3993645-A Stilbene optical brighteners and compositions brightened therewith STERLING DRUG INC. (US) 1976-11-23 US disclosed
US-3983245-A CORONARY VASODILATORS SMITHKLINE CORPORATION (US) 1976-09-28 US disclosed
US-3975537-A SUBSTITUTED BENZOFURANS SMITH KLINE (US) 1976-08-17 US disclosed
US-3974144-A BENZOFURAN, BENZOTHIOPHENE, NAPHTHOFURAN, OPTICAL BRIGHTENER STERLING DRUG INC. (US) 1976-08-10 US disclosed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 US disclosed
US-3932301-A NYLON, POLYESTERS STERLING DRUG INC. (US) 1976-01-13 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 (4 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-20200122132-A1 PALLADIUM ACYCLIC DIAMINOCARBENE COMPLEXES AS PRECATALYSTS FOR HIYAMA COUPLING AND THE TANDEM ONE-POT FLUORIDE FREE HIYAMA COUPLING/CYCLIZATION FOR THE SYNTHESIS OF BIOLOGICALLY RELEVANT PAICS, AOC1, FLI1 MAOB 351/4885P2RY14 4167/4885TNKS 2224/4885
US-20210384446-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DDT, TYR, DDC MAOB 39/4885P2RY14 1904/4885TNKS 3491/4885
US-11133478-B2 Aromatic amine derivative and organic electroluminescent device using the same DDT, TYR, DDC MAOB 39/4885P2RY14 1904/4885TNKS 3491/4885
US-11033889-B2 Palladium acyclic diaminocarbene complexes as precatalysts for Hiyama coupling and the tandem one-pot fluoride free Hiyama coupling/cyclization for the synthesis of biologically relevant PAICS, AOC1, FLI1 MAOB 351/4885P2RY14 4167/4885TNKS 2224/4885

“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.