SCHEMBL229697

SCHEMBL229697

Brc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.90

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.90
PTGS2 P35354 3/20 0.90
ATM Q13315 1/20 0.78
L3MBTL1 Q9Y468 1/20 0.78
PSMB1 P20618 3/20 0.67
PSMB5 P28074 3/20 0.67
PSMB2 P49721 2/20 0.67
KDM4E B2RXH2 2/20 0.66
HRH3 Q9Y5N1 2/20 0.65
PTGS1 P23219 1/20 0.63
TSHR P16473 1/20 0.62
MCHR1 Q99705 1/20 0.61

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
SCHEMBL227976 0.98 LTA4H (0.87) LTA4HPTGS2ATML3MBTL1PSMB1
SCHEMBL5116881 0.98 LTA4H (0.87) LTA4HPTGS2ATML3MBTL1PSMB1
SCHEMBL227425 0.98 LTA4H (0.87) LTA4HPTGS2ATML3MBTL1PSMB1
SCHEMBL5117118 0.96 LTA4H (0.84) LTA4HPTGS2ATML3MBTL1PSMB1
SCHEMBL5139685 0.96 LTA4H (0.84) LTA4HPTGS2ATML3MBTL1PSMB1
SCHEMBL18824776 0.91 ATM (0.87) LTA4HPTGS2ATML3MBTL1KDM4E
SCHEMBL7139221 0.91 LTA4H (0.75) LTA4HPTGS2ATML3MBTL1PSMB1
SCHEMBL491581 0.89 ATM (0.90) LTA4HPTGS2ATML3MBTL1HRH3
SCHEMBL1776837 0.89 ATM (0.90) LTA4HPTGS2ATML3MBTL1HRH3
SCHEMBL5856455 0.88 ATM (0.88) LTA4HPTGS2ATML3MBTL1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527186-A4 UNIV ILLINOIS (US) 1995-01-18 EP claimed
EP-0527186-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS The Board of Trustees for the University of Illinois (US) 1993-02-17 EP claimed
WO-1991016820-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1991-11-14 WO claimed
US-12479849-B2 EGFR inhibitors for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2025-11-25 US disclosed
CN-113993872-B EGFR inhibitors for the treatment of cancer 豪夫迈·罗氏有限公司 2024-09-24 CN disclosed
EP-3986896-B1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2023-03-15 EP disclosed
US-20230054473-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2023-02-23 US disclosed
EP-3986896-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-04-27 EP disclosed
CN-113993872-A EGFR inhibitors for the treatment of cancer 豪夫迈·罗氏有限公司 2022-01-28 CN disclosed
WO-2020254572-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2020-12-24 WO disclosed
CN-105753768-B Production method of single nitrogen heterocyclic compound 北京恒瑞新霖科技有限公司 2020-11-27 CN disclosed
WO-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed
US-5585492-A USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES WHICH ARE MEDIATED BY LTB4 PRODUCTION, SUCH AS PSORIASIS, ULCERATIVE COLITIS, IRRITABLE BOWEL DISEASE AND ASTHMA G. D. SEARLE & CO. (US) 1996-12-17 US disclosed
US-5552412-A 5-substitued-6-cyclic-5,6,7,8-tetrahydronaphthalen2-ol compounds which are useful for treating osteoporosis PFIZER INC (US) 1996-09-03 US disclosed
WO-1996021656-A1 ESTROGEN AGONISTS/ANTAGONISTS PFIZER, INC. (US) 1996-07-18 WO disclosed
WO-1996010999-A2 LTA4 HYDROLASE INHIBITOR PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed
US-5459139-A Antitumor agents, anticholesterol agents, antiestrogens, treatment of breast cancer NATIONAL UNIVERSITY OF SINGAPORE (SG) 1995-10-17 US disclosed
US-5354861-A Binds to antiestrogen binding sites; antiproliferative activity NATIONAL UNIVERSITY OF SINGAPORE (SG) 1994-10-11 US disclosed
US-5242892-A With 5-aminolevulinic acid THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1993-09-07 US disclosed
US-4383998-A Furo-(3,4-c)-pyridine derivatives and their pharmaceutical use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 1983-05-17 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 (2 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-20230054473-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER EGFR, ERBB2, ERBB3 LTA4H 4750/4885PTGS2 2952/4885ATM 191/4885
US-12479849-B2 EGFR inhibitors for the treatment of cancer EGFR, ERBB2, ERBB3 LTA4H 4810/4885PTGS2 2959/4885ATM 199/4885

“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.