SCHEMBL8973201

SCHEMBL8973201

OCc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.82
PSMB1 P20618 5/20 0.73
PSMB5 P28074 5/20 0.73
PSMB2 P49721 5/20 0.73
LTA4H P09960 10/20 0.67
ESR1 P03372 1/20 0.62
ESR2 Q92731 1/20 0.62

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
SCHEMBL224627 0.98 HRH3 (0.85) HRH3PSMB1PSMB5PSMB2LTA4H
SCHEMBL227588 0.98 HRH3 (0.85) HRH3PSMB1PSMB5PSMB2LTA4H
Hydroxyamine SCHEMBL6816656 0.95 HRH3 (0.80) HRH3PSMB1PSMB5PSMB2LTA4H
SCHEMBL4089206 0.90 HRH3 (1.00) HRH3
SCHEMBL12128339 0.89 HRH3 (0.85) HRH3
SCHEMBL17826374 0.88 PSMB1 (0.71) HRH3PSMB1PSMB5PSMB2LTA4H
SCHEMBL9056254 0.87 HRH3 (0.83) HRH3PSMB1PSMB5PSMB2LTA4H
SCHEMBL2249548 0.85 LTA4H (0.69) HRH3LTA4H
SCHEMBL6657187 0.85 HRH3 (0.86) HRH3PSMB1PSMB5PSMB2LTA4H
SCHEMBL9940278 0.83 SIGMAR1 (0.68) HRH3LTA4H

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112028888-B Compound and preparation method and application thereof 中国药科大学 2021-08-20 CN claimed
CN-112028888-A Compound and preparation method and application thereof 中国药科大学 2020-12-04 CN claimed
CN-117447468-A Bazedoxifene derivative and preparation method and application thereof 中国药科大学 2024-01-26 CN disclosed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
US-11578087-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-02-14 US disclosed
CN-112028888-B Compound and preparation method and application thereof 中国药科大学 2021-08-20 CN disclosed
EP-3578562-B1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES ANACOR PHARMACEUTICALS INC (US) 2021-06-23 EP disclosed
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. 2021-04-08 US disclosed
US-10882872-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
CN-112028888-A Compound and preparation method and application thereof 中国药科大学 2020-12-04 CN disclosed
US-10562921-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
EP-3578562-A1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES Anacor Pharmaceuticals, Inc (US) 2019-12-11 EP disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
WO-1996009052-A1 A METHOD FOR INHIBITING MAMMALIAN BREAST CARCINOMA WITH TAMOXIFEN, AND ANALOGS THEREOF, AND CERTAIN NAPHTHYL COMPOUNDS ELI LILLY AND COMPANY (US) 1996-03-28 WO disclosed
EP-0702961-A2 Compositions for minimizing the uterotrophic effect of tamoxifen and its analogs ELI LILLY AND COMPANY (US) 1996-03-27 EP disclosed
EP-0703228-A1 Naphthyl compounds, intermediates, processes, compositions involving them ELI LILLY AND COMPANY (US) 1996-03-27 EP disclosed
EP-0702962-A2 Preparations for inhibiting mammalian breast carcinoma with tamoxifen and analogs thereof, and certain naphthyl compounds ELI LILLY AND COMPANY (US) 1996-03-27 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 (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-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 HRH3 2501/4885PSMB1 3099/4885PSMB5 2901/4885
US-10882872-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 HRH3 2501/4885PSMB1 3099/4885PSMB5 2901/4885
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 HRH3 2501/4885PSMB1 3099/4885PSMB5 2901/4885
US-11578087-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 HRH3 2501/4885PSMB1 3099/4885PSMB5 2901/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 HRH3 2501/4885PSMB1 3099/4885PSMB5 2901/4885
US-10562921-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 HRH3 2501/4885PSMB1 3099/4885PSMB5 2901/4885

“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.