SCHEMBL2229668

SCHEMBL2229668

COC(=O)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.90

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.90
PSMB1 P20618 8/20 0.71
PSMB5 P28074 8/20 0.71
PSMB2 P49721 6/20 0.71
LTA4H P09960 1/20 0.66
MAPT P10636 2/20 0.66
ESR1 P03372 3/20 0.63
ESR2 Q92731 3/20 0.63
KCNH2 Q12809 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60
KMT2A Q03164 1/20 0.60
DRD2 P14416 1/20 0.59
DRD3 P35462 1/20 0.59
RAB9A P51151 1/20 0.59

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
SCHEMBL5681637 0.99 KDM4E (0.92) KDM4EPSMB1PSMB5PSMB2LTA4H
Hydrochloric Acid SCHEMBL8693860 0.97 KDM4E (0.90) KDM4EPSMB1PSMB5PSMB2LTA4H
SCHEMBL2089311 0.93 KDM4E (0.78) KDM4EPSMB1PSMB5PSMB2MAPT
SCHEMBL491928 0.92 KDM4E (0.81) KDM4EPSMB1PSMB5PSMB2MAPT
SCHEMBL63569 0.87 SMN1; SMN2 (0.72) KDM4EPSMB1PSMB5MAPTHRH3
Hydrochloric Acid SCHEMBL23247221 0.86 KDM4E (0.69) KDM4EPSMB1PSMB5PSMB2LTA4H
Hydrochloric Acid SCHEMBL20575882 0.86 SMN1; SMN2 (0.70) KDM4EPSMB1PSMB5MAPTHRH3
SCHEMBL21408538 0.86 HRH3 (0.79) KDM4EPSMB1PSMB5PSMB2LTA4H
SCHEMBL63672 0.85 KDM4E (0.67) KDM4EPSMB1PSMB5PSMB2LTA4H
SCHEMBL6534752 0.85 KDM4E (0.77) KDM4EPSMB1PSMB5PSMB2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420529-A Novel estrogen receptor down-regulator compound, preparation method and application 南京中医药大学 2024-08-02 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
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
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
EP-2526116-B1 PYRUVAMIDE COMPOUNDS AS INHIBITORS OF DUST MITE GROUP 1 PEPTIDASE ALLERGEN ST GEORGES HOSP MEDICAL SCHOOL (GB) 2015-05-13 EP disclosed
EP-1019047-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-11-05 EP disclosed
US-6541499-B1 Antithrombotic agents ELI LILLY AND COMPANY 2003-04-01 US disclosed
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 US disclosed
EP-1019047-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-06-13 EP disclosed
EP-1067894-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-01-17 EP disclosed
EP-1019047-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999059526-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 WO disclosed
WO-1998048800-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
US-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 US disclosed
US-4133814-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1979-01-09 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 (5 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 KDM4E 2081/4885PSMB1 3099/4885PSMB5 2901/4885
US-10882872-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 KDM4E 2081/4885PSMB1 3099/4885PSMB5 2901/4885
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 KDM4E 2081/4885PSMB1 3099/4885PSMB5 2901/4885
US-11578087-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 KDM4E 2081/4885PSMB1 3099/4885PSMB5 2901/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 KDM4E 2081/4885PSMB1 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.