SCHEMBL6964959

SCHEMBL6964959

Oc1ccc(CCCCBr)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.59
ADRA2A P08913 3/20 0.59
SLC6A2 P23975 3/20 0.59
ADORA3 P0DMS8 2/20 0.59
TACR2 P21452 2/20 0.59
SLC6A4 P31645 2/20 0.59
SLC6A3 Q01959 2/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
SHBG P04278 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
HSPD1 P10809 1/20 0.59
ADRB3 P13945 1/20 0.59
HTR2C P28335 1/20 0.59
HSPE1 P61604 1/20 0.59
HIF1A Q16665 1/20 0.59
TST Q16762 1/20 0.59
HSD17B10 Q99714 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
SCHEMBL1172696 0.98 ESR1 (0.63) ESR1ADRA2ASLC6A2ADORA3TACR2
SCHEMBL1171632 0.98 ESR1 (0.63) ESR1ADRA2ASLC6A2ADORA3TACR2
SCHEMBL9143112 0.98 ESR1 (0.63) ESR1ADRA2ASLC6A2ADORA3TACR2
SCHEMBL11557511 0.98 ESR1 (0.63) ESR1ADRA2ASLC6A2ADORA3TACR2
SCHEMBL1428981 0.93 ESR1 (0.62) ESR1ADRA2ASLC6A2ADORA3TACR2
SCHEMBL449737 0.87 ESR1 (0.77) ESR1ADRA2ASLC6A2ADORA3TACR2
SCHEMBL2177163 0.87 THRA (0.47) ESR1ADRA2ASLC6A2ADORA3TACR2
SCHEMBL9673266 0.85 THRA (0.50) ESR1ADRA2ASLC6A2ADORA3TACR2
SCHEMBL9673289 0.85 THRA (0.50) ESR1ADRA2ASLC6A2ADORA3TACR2
SCHEMBL1447579 0.85 ESR1 (0.77) ESR1ADRA2ASLC6A2ADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579871-B2 Phenyl oxazoles or thiazoles ELI LILLY AND COMPANY 2003-06-17 US disclosed
EP-0971709-B1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS LILLY CO ELI (US) 2003-05-21 EP disclosed
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents PANETTA JILL ANN (US) 2003-03-13 US disclosed
US-20020177595-A1 Novel compounds useful as neuro-protective agents PANETTA JILL ANN (US) 2002-11-28 US disclosed
US-6472387-B1 Methods of using compounds as neuro-protective agents ELI LILLY AND COMPANY 2002-10-29 US disclosed
US-6448396-B2 2-((3,5-DIALKYL-4-HYDROXYPHENYL-4-(2-(AMINOALKYLPHENOXY)ETHYL) OXAZOLES; ANTIISCHEMIC AGENTS; REPERFUSION INJURY OF PERIPHERAL ORGANS; FREE RADICAL ANTAGONISTS; PARKINSON'S AND ALZHEIMER'S DISESES; DOWN'S SYNDROME; AMYOTROPHIC LATERAL S. ELI LILLY AND COMPANY 2002-09-10 US disclosed
US-6423709-B1 FOR THERAPY OF ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, AMYTROPHIC LATERAL SCLEROSIS OR CEREBRAL TRAUMA IN A MAMMAL ELI LILLY AND COMPANY 2002-07-23 US disclosed
US-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS PANETTA JILL ANN (US) 2002-05-30 US disclosed
US-6380213-B1 PHENYL OXAZOLES, THIAZOLES, OXAZOLINES, OXADIAZOLES AND BENZOXAZOLES ELI LILLY AND COMPANY 2002-04-30 US disclosed
US-20010027194-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY 2001-10-04 US disclosed
WO-1999009979-A1 METHOD FOR TREATING NEUROPATHIC PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
WO-1999009980-A1 METHOD FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
EP-0830709-A4 ELECTROLYTE MATERIALS CONTAINING HIGHLY DISSOCIATED METAL ION SALTS MOLTECH CORP (US) 1998-05-20 EP disclosed
WO-1998015274-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0830709-A1 ELECTROLYTE MATERIALS CONTAINING HIGHLY DISSOCIATED METAL ION SALTS Moltech Corporation (US) 1998-03-25 EP disclosed
WO-1996029753-A9 ELECTROLYTE MATERIALS CONTAINING HIGHLY DISSOCIATED METAL ION SALTS 1997-01-16 WO disclosed
WO-1996029753-A1 ELECTROLYTE MATERIALS CONTAINING HIGHLY DISSOCIATED METAL ION SALTS MOLTECH CORPORATION (US) 1996-09-26 WO disclosed
US-5538812-A ELECTROLYTIC CELLS WITH POLYETHERSILOXANES WITH GROUPS OF TRIFLUOROMETHANESULFONYL MOLTECH CORPORATION (US) 1996-07-23 US disclosed
EP-0301421-B1 SULFUR COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES Roche Diagnostics GmbH (DE) 1991-08-28 EP disclosed
EP-0301421-A2 Sulfur compounds, process for their preparation and medicines Roche Diagnostics GmbH (DE) 1989-02-01 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 (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-20010027194-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS NLN, PRDX5, TXN2 ESR1 4584/4885ADRA2A 1182/4885SLC6A2 787/4885
US-20020177595-A1 Novel compounds useful as neuro-protective agents NLN, PRDX5, TXN2 ESR1 4584/4885ADRA2A 1182/4885SLC6A2 787/4885
US-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS NLN, GAP43, TXN2 ESR1 4778/4885ADRA2A 1646/4885SLC6A2 614/4885
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents NLN, GAP43, TXN2 ESR1 4778/4885ADRA2A 1646/4885SLC6A2 614/4885

“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.