SCHEMBL1551402

SCHEMBL1551402

CCOc1ccc([Mg]Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.64
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LTA4H P09960 2/20 0.48
ADRA2A P08913 2/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
PARP10 Q53GL7 1/20 0.44
RELA Q04206 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43

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
SCHEMBL928621 0.83 LTA4H (0.50) NQO1LTA4HCA12CA1CA2
SCHEMBL926603 0.83 LTA4H (0.52) TSHRLTA4HCA12CA1CA2
SCHEMBL20507049 0.82 THRA (0.44) NQO1TDP1ALDH1A1KDM4ESMN1; SMN2
1,4-Diethoxybenzene SCHEMBL28186701 0.80 NQO1 (1.00) NQO1TSHRTDP1LTA4HADRA2A
1,4-Diethoxybenzene SCHEMBL124015 0.80 NQO1 (1.00) NQO1TSHRTDP1LTA4HADRA2A
SCHEMBL930242 0.79 NR5A1 (0.56) TSHRLTA4HMAPTNPC1
SCHEMBL4260979 0.78 NQO1 (0.36) NQO1TSHRTDP1
SCHEMBL927208 0.78 NR5A1 (0.59) TSHRLTA4HMAPTNPC1
SCHEMBL3735674 0.78 NR5A1 (0.59) TSHRLTA4HMAPTNPC1
SCHEMBL928036 0.78 NR5A1 (0.59) TSHRLTA4HMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11012218-A None JP disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
EP-3865474-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2021-08-18 EP disclosed
US-20210238159-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL LIMITED (BM) 2021-08-05 US disclosed
EP-3736270-B1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE ABBVIE OVERSEAS SARL (LU) 2021-05-05 EP disclosed
EP-3736267-B1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE ABBVIE OVERSEAS SARL (LU) 2021-05-05 EP disclosed
US-10988454-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2021-04-27 US disclosed
US-10981890-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2021-04-20 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
JP-H1112218-A PRODUCTION OF ALPHA-ALKYLBENZYL METHYL KETONE DERIVATIVE SUMITOMO CHEM CO LTD 1999-01-19 JP disclosed
US-5536443-A DUTERIUM CONTAINING COMPOUNDS FOOR ELECTROOPTICAL APPARATUS DAINIPPON INK & CHEMICALS, INC. (JP) 1996-07-16 US disclosed
US-5474707-A Electrooptic display DAINIPPON INK AND CHEMICALS, INC. (JP) 1995-12-12 US disclosed
US-5455356-A Fungicides KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1995-10-03 US disclosed
EP-0637623-A1 Cyclic hydrocarbon derivative and liquid crystal composition containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1995-02-08 EP disclosed
EP-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP disclosed
EP-0390228-A2 Chemical intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-03 EP disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed
EP-0240121-A2 Diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-07 EP disclosed
US-3974143-A (16α)-16,17-ALKYLIDENEBIS(OXY)-3-ARYLPREGNA-2,4-TRIEN-20-ONES G. D. SEARLE & CO. (US) 1976-08-10 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 (6 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-20210238159-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A NQO1 1259/4885TSHR 1355/4885TDP1 4790/4885
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 NQO1 999/4885TSHR 475/4885TDP1 4598/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 NQO1 999/4885TSHR 475/4885TDP1 4598/4885
US-10988454-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A NQO1 1259/4885TSHR 1355/4885TDP1 4790/4885
US-10981890-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A NQO1 1259/4885TSHR 1355/4885TDP1 4790/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 NQO1 691/4885TSHR 402/4885TDP1 4645/4885

“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.