SCHEMBL2195545

SCHEMBL2195545

O/N=C(/c1ccc(OCc2ccccc2)cc1F)C1CCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.45
▸ HRH3 Q9Y5N1 4/20 0.44
▸ PARP10 Q53GL7 2/20 0.44
▸ CYP2D6 P10635 2/20 0.42
▸ PARP15 Q460N3 1/20 0.42
▸ MAOA P21397 3/20 0.42
▸ NOX1 Q9Y5S8 1/20 0.41
▸ ALOX5 P09917 1/20 0.40

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
SCHEMBL1940449 1.00 MAOB (0.45) MAOBHRH3PARP10CYP2D6PARP15
SCHEMBL1940994 0.84 MAOB (0.50) MAOBHRH3PARP10PARP15MAOA
SCHEMBL1941861 0.84 MAOB (0.50) MAOBHRH3PARP10PARP15MAOA
SCHEMBL1940216 0.83 MAOB (0.51) MAOBHRH3PARP10PARP15MAOA
SCHEMBL10252515 0.77 PARP10 (0.53) MAOBPARP10PARP15MAOANOX1
SCHEMBL2997270 0.75 MAOB (0.62) MAOBPARP10PARP15MAOANOX1
SCHEMBL19189961 0.74 GAA (0.41) —
Hydrochloric Acid SCHEMBL9015457 0.74 MAOB (0.61) MAOBPARP10PARP15MAOANOX1
SCHEMBL27683488 0.74 MAOB (0.61) MAOBPARP10PARP15MAOANOX1
SCHEMBL2196861 0.74 EPHX2 (0.47) MAOBPARP10PARP15MAOANOX1

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 2 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

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 1421/4885HRH3 577/4885PARP10 1897/4885

“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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