SCHEMBL4889872

SCHEMBL4889872

ON=Cc1c(O)cccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
BCL2L1 Q07817 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ESR1 P03372 1/20 0.50
CA9 Q16790 1/20 0.50
ESR2 Q92731 1/20 0.50
BACE1 P56817 1/20 0.43
KDM4E B2RXH2 2/20 0.41
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
FGF23 Q9GZV9 1/20 0.39
ALOX5 P09917 1/20 0.38
HNF4A P41235 1/20 0.38
GRIN2D O15399 2/20 0.38

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
SCHEMBL15677707 0.80 KDM4E (0.47) ALDH1A1HPGDHSD17B10CA12CA1
SCHEMBL5074857 0.80 KDM4E (0.47) ALDH1A1HPGDHSD17B10CA12CA1
SCHEMBL5074856 0.80 KDM4E (0.47) ALDH1A1HPGDHSD17B10CA12CA1
SCHEMBL15094515 0.77 ALDH1A1 (0.56) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL3963384 0.77 ALDH1A1 (0.56) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL2160705 0.72 GRIN2D (0.59) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL3323469 0.72 GRIN2D (0.59) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL2160707 0.72 GRIN2D (0.59) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL16538613 0.71 KDM4E (0.55) ALDH1A1HPGDHSD17B10KDM4EGFER
SCHEMBL6824608 0.71 TSHR (0.46) ALDH1A1HPGDCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230114408-A1 METHODS OF MODULATING T-CELL ACTIVATION USING ESTROGEN RECEPTOR BETA (ERB) AGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-04-13 US disclosed
WO-2021183760-A1 METHODS OF MODULATING T-CELL ACTIVATION USING ESTROGEN RECEPTOR BETA (ERΒ) AGONISTS OHIO STATE INNOVATION FOUNDATION (US) 2021-09-16 WO disclosed
WO-2020160225-A1 ESTROGEN RECEPTOR BETA (ERβ) AGONISTS FOR THE TREATMENT OF FIBROTIC CONDITIONS OHIO STATE INNOVATION FOUNDATION (US) 2020-08-06 WO disclosed
US-20080033049-A1 Hydroxy-Biphenyl-Carbaldehyde Oxime Derivatives and Their Use As Estrogenic Agents WYETH (US) 2008-02-07 US disclosed
EP-1808429-A3 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents Wyeth a Corporation of the State of Delaware (US) 2007-10-31 EP disclosed
US-7279600-B2 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-10-09 US disclosed
EP-1808429-A2 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents Wyeth a Corporation of the State of Delaware (US) 2007-07-18 EP disclosed
CN-1784379-A Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH CORP (US) 2006-06-07 CN disclosed
CN-1784379-A Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH CORP (US) 2006-06-07 CN disclosed
EP-1620392-A2 HYDROXY-BIPHENYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS Wyeth (US) 2006-02-01 EP disclosed
US-20050020676-A1 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH 2005-01-27 US disclosed
WO-2004099122-A2 HYDROXY-BIPHENYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2004-11-18 WO 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 (3 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-20080033049-A1 Hydroxy-Biphenyl-Carbaldehyde Oxime Derivatives and Their Use As Estrogenic Agents ESR1, ESR2, ESRRB ALDH1A1 348/4885HPGD 1800/4885BCL2L1 808/4885
US-20050020676-A1 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, ESRRB ALDH1A1 348/4885HPGD 1800/4885BCL2L1 808/4885
US-20230114408-A1 METHODS OF MODULATING T-CELL ACTIVATION USING ESTROGEN RECEPTOR BETA (ERB) AGONISTS ESRRG, ESR2, ESRRB ALDH1A1 2835/4885HPGD 900/4885BCL2L1 1154/4885

“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.