SCHEMBL1941861

SCHEMBL1941861

O=C(c1ccc(OCc2ccccc2)cc1F)C1CCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.50
▸ PARP10 Q53GL7 3/20 0.50
▸ PARP15 Q460N3 2/20 0.48
▸ MAOA P21397 1/20 0.48
▸ HRH3 Q9Y5N1 3/20 0.47
▸ NOX1 Q9Y5S8 1/20 0.46
▸ CPS1 P31327 1/20 0.46
▸ KDM2B Q8NHM5 1/20 0.45
▸ CTSV O60911 1/20 0.45
▸ CTSL P07711 1/20 0.45

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
SCHEMBL1940994 1.00 MAOB (0.50) MAOBPARP10PARP15MAOAHRH3
SCHEMBL1940216 0.99 MAOB (0.51) MAOBPARP10PARP15MAOAHRH3
SCHEMBL1940449 0.84 MAOB (0.45) MAOBPARP10PARP15MAOAHRH3
SCHEMBL2195545 0.84 MAOB (0.45) MAOBPARP10PARP15MAOAHRH3
SCHEMBL2198109 0.81 PPARG (0.46) MAOBMAOAHRH3KDM2B
SCHEMBL2997270 0.81 MAOB (0.62) MAOBPARP10PARP15MAOANOX1
SCHEMBL27683488 0.80 MAOB (0.61) MAOBPARP10PARP15MAOANOX1
Hydrochloric Acid SCHEMBL9015457 0.80 MAOB (0.61) MAOBPARP10PARP15MAOANOX1
SCHEMBL18556036 0.79 MEN1 (0.46) —
SCHEMBL18571084 0.78 SCN7A (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2011-09-29 — — US disclosed
US-7977364-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2011-07-12 — — US disclosed
EP-1812404-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS THERAMEX (MC) 2011-06-15 — — EP disclosed
EP-1812404-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2007-08-01 — — EP disclosed
WO-2006040351-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2006-04-20 — — 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 (1 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-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS ESR1, ESR2, GPER1 MAOB 1421/4885PARP10 1897/4885PARP15 1136/4885

“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.

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