SCHEMBL227976

SCHEMBL227976

Brc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.87
PTGS2 P35354 1/20 0.87
ATM Q13315 1/20 0.81
L3MBTL1 Q9Y468 1/20 0.81
PSMB1 P20618 7/20 0.70
PSMB5 P28074 7/20 0.70
PSMB2 P49721 6/20 0.70
HRH3 Q9Y5N1 3/20 0.68
KDM4E B2RXH2 1/20 0.64

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
SCHEMBL227425 1.00 LTA4H (0.87) LTA4HPTGS2ATML3MBTL1PSMB1
SCHEMBL5117118 0.98 LTA4H (0.84) LTA4HPTGS2ATML3MBTL1PSMB1
SCHEMBL5139685 0.98 LTA4H (0.84) LTA4HPTGS2ATML3MBTL1PSMB1
SCHEMBL229697 0.98 LTA4H (0.90) LTA4HPTGS2ATML3MBTL1PSMB1
SCHEMBL5116881 0.96 LTA4H (0.87) LTA4HPTGS2ATML3MBTL1PSMB1
SCHEMBL491581 0.91 ATM (0.90) LTA4HPTGS2ATML3MBTL1HRH3
SCHEMBL1776837 0.91 ATM (0.90) LTA4HPTGS2ATML3MBTL1HRH3
SCHEMBL5856455 0.90 ATM (0.88) LTA4HPTGS2ATML3MBTL1HRH3
SCHEMBL18824776 0.89 ATM (0.87) LTA4HPTGS2ATML3MBTL1HRH3
SCHEMBL7139221 0.89 LTA4H (0.75) LTA4HPTGS2ATML3MBTL1PSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3986896-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-04-27 EP disclosed
US-20170298069-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION 2017-10-19 US disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-8258328-B2 Method and intermediates for preparing 19-norsteroid compounds AVENTIS PHARMA S.A. (FR) 2012-09-04 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
EP-1622925-B1 NOVEL METHOD AND INTERMEDIATES FOR THE PREPARATION OF 19-NOR-STEROID COMPOUNDS AVENTIS PHARMA SA (FR) 2011-03-09 EP disclosed
US-20110046402-A1 NOVEL METHOD AND INTERMEDIATES FOR PREPARING 19-NORSTEROID COMPOUNDS AVENTIS PHARMA S.A. (FR) 2011-02-24 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 WO disclosed
EP-0979076-A1 INTERMEDIATES AND PROCESSES FOR PREPARING BENZO b]THIOPHENES ELI LILLY AND COMPANY (US) 2000-02-16 EP disclosed
US-6018056-A Intermediates and processes for preparing benzo (b) thiophenes ELI LILLY AND COMPANY (US) 2000-01-25 US disclosed
WO-1998048793-A1 INTERMEDIATES AND PROCESSES FOR PREPARING BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
US-5643896-A TREATMENT OF MENOPAUSE SYMPTOMS, OSTEOPOROSIS, CARDIOVASCULAR DISORDERS OR ESTROGEN DEPENDENT CANCER ELI LILLY AND COMPANY (US) 1997-07-01 US disclosed
WO-1996026935-A1 2-BENZYL-3-ARYLBENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1996-09-06 WO disclosed
EP-0729955-A1 2-Benzyl-3-Arylbenzothiophenes useful for the treatment of post-menopausal syndrome ELI LILLY AND COMPANY (US) 1996-09-04 EP disclosed
US-5552401-A CARDIOVASCULAR DISORDERS, OSTEOPOROSIS AND ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1996-09-03 US 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

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

For each of this compound's patents that has machine-readable text (4 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 LTA4H 3180/4885PTGS2 2136/4885ATM 3941/4885
US-20110046402-A1 NOVEL METHOD AND INTERMEDIATES FOR PREPARING 19-NORSTEROID COMPOUNDS HSD17B7, CYP17A1, HSD17B13 LTA4H 532/4885PTGS2 1308/4885ATM 4483/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 LTA4H 2984/4885PTGS2 2249/4885ATM 3843/4885
US-20170298069-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ACVR1, ACVR2A, ACVRL1 LTA4H 3110/4885PTGS2 2657/4885ATM 313/4885

“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.