SCHEMBL184292

SCHEMBL184292

B.c1ccc(Pc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.41
CA9 Q16790 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA12 O43570 1/20 0.41
GLA P06280 1/20 0.41
CA3 P07451 1/20 0.41
ALDH1A1 P00352 5/20 0.38
TSHR P16473 5/20 0.33
CA7 P43166 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
ACHE P22303 1/20 0.33
MMP3 P08254 1/20 0.33
BCL2L1 Q07817 1/20 0.33
CA6 P23280 1/20 0.32
HSD17B10 Q99714 3/20 0.32

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
SCHEMBL6391262 1.00 TDP1 (0.41) TDP1CA9CA1CA2CA4
SCHEMBL49343 0.96 TDP1 (0.44) TDP1CA9CA1CA2CA4
Benzene SCHEMBL28239903 0.96 TDP1 (0.44) TDP1CA9CA1CA2CA4
SCHEMBL28047489 0.96 TDP1 (0.44) TDP1CA9CA1CA2CA4
Benzene SCHEMBL4445625 0.96 TDP1 (0.44) TDP1CA9CA1CA2CA4
Benzene SCHEMBL28943358 0.96 TDP1 (0.44) TDP1CA9CA1CA2CA4
Ammonia Solution, Strong SCHEMBL23797888 0.92 TDP1 (0.41) TDP1CA9CA1CA2CA4
Hydrogen Sulfide SCHEMBL1157712 0.92 TDP1 (0.41) TDP1CA9CA1CA2CA4
SCHEMBL9542822 0.92 TDP1 (0.41) TDP1CA9CA1CA2CA4
SCHEMBL21597051 0.92 TDP1 (0.41) TDP1CA9CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114480534-B Protein semisynthesis by chemoenzymatic methods based on transpeptidase 清华大学 2024-02-13 CN claimed
CN-114195902-B Recombinant protein structural domain enhanced TET enzyme and whole genome DNA methylation detection method 翌圣生物科技(上海)股份有限公司 2023-06-20 CN claimed
CN-114591440-B Recombinant TET enzyme MBD4-NgTET1 and application thereof in improving 5caC (cubic-alternating current) ratio in TET enzyme oxidation product 翌圣生物科技(上海)股份有限公司 2023-06-20 CN claimed
CN-114591439-B Recombinant TET enzyme MBD2-NgTET1 and application thereof in improving 5caC (cubic-alternating current) ratio in TET enzyme oxidation product 翌圣生物科技(上海)股份有限公司 2023-06-20 CN claimed
CN-114591441-B Recombinant TET enzyme MBD3-NgTET1 and application thereof in improving 5caC (cubic-alternating current) ratio in TET enzyme oxidation product 翌圣生物科技(上海)股份有限公司 2023-06-20 CN claimed
CN-114591441-A Recombinant TET enzyme MBD3-NgTET1 and application thereof in improving proportion of 5caC in TET enzyme oxidation product 翌圣生物科技(上海)股份有限公司 2022-06-07 CN claimed
CN-114591440-A Recombinant TET enzyme MBD4-NgTET1 and application thereof in improving proportion of 5caC in TET enzyme oxidation product 翌圣生物科技(上海)股份有限公司 2022-06-07 CN claimed
CN-114591439-A Recombinant TET enzyme MBD2-NgTET1 and application thereof in improving proportion of 5caC in TET enzyme oxidation product 翌圣生物科技(上海)股份有限公司 2022-06-07 CN claimed
CN-114480534-A Protein semi-synthesis based on chemical enzymatic methods of transpeptidase 清华大学 2022-05-13 CN claimed
CN-114195902-A Recombinant protein domain enhanced TET enzyme and whole genome DNA methylation detection method 翌圣生物科技(上海)股份有限公司 2022-03-18 CN claimed
US-20200113929-A1 SOLUBLE ADDUCTS OF BORIC ACID OR DERIVATIVES AND PRECURSORS THEREOF WITH CHITOSAN OLIGOSACCHARIDE DERIVATIVES BIOPOLIFE SRL (75% ownership) (IT) 2020-04-16 US claimed
EP-3559106-A1 SOLUBLE ADDUCTS OF BORIC ACID OR DERIVATIVES AND PRECURSORS THEREOF WITH CHITOSAN OLIGOSACCHARIDE DERIVATIVES Biopolife Srl (IT) 2019-10-30 EP claimed
US-10427982-B2 Method of carbon coating on nanoparticle and carbon coated nanoparticle produced by the same KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2019-10-01 US claimed
WO-2018116224-A1 SOLUBLE ADDUCTS OF BORIC ACID OR DERIVATIVES AND PRECURSORS THEREOF WITH CHITOSAN OLIGOSACCHARIDE DERIVATIVES BIOPOLIFE SRL (IT) 2018-06-28 WO claimed
US-20170081248-A1 METHOD OF CARBON COATING ON NANOPARTICLE AND CARBON COATED NANOPARTICLE PRODUCED BY THE SAME KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2017-03-23 US claimed
EP-3144277-A1 METHOD OF CARBON COATING ON NANOPARTICLE AND CARBON COATED NANOPARTICLE PRODUCED BY THE SAME Korea Institute of Energy Research (KR) 2017-03-22 EP claimed
EP-1899317-A2 ENANTIOMERS OF N,N-DIMETHYL-3-(2-THIENYL)-3-HYDROXYPROPANAMINE BORANE AS INTERMEDIATES IN THE SYNTHESIS OF DULOXETINE Teva Pharmaceutical Industries Ltd (IL) 2008-03-19 EP claimed
US-20080015362-A1 Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine TEVA PHARMACEUTICALS USA, INC. 2008-01-17 US claimed
WO-2007123900-A2 ENANTIOMERS OF N,N-DIMETHYL-3-(2-THIENYL)-3-HYDROXYPROPANAMINE BORANE AS INTERMEDIATES IN THE SYNTHESIS OF DULOXETINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-11-01 WO claimed
US-20050173254-A1 Nickel cobalt boron ternary alloys TASKEM, INC. 2005-08-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080015362-A1 Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine HTR3A, PNMT, TPH1 TDP1 932/4885CA9 4200/4885CA1 4835/4885

“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.