SCHEMBL2196861

SCHEMBL2196861

O/N=C(/c1ccc(OCc2ccccc2)cc1F)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.47
▸ FAAH O00519 3/20 0.47
▸ CNR2 P34972 3/20 0.47
▸ MAOB P27338 5/20 0.42
▸ PARP15 Q460N3 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ NOX1 Q9Y5S8 1/20 0.39

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
SCHEMBL1939741 1.00 EPHX2 (0.47) EPHX2FAAHCNR2MAOBPARP15
SCHEMBL1940369 0.84 EPHX2 (0.55) EPHX2FAAHCNR2MAOBPARP15
SCHEMBL10252515 0.74 PARP10 (0.53) MAOBPARP15PARP10MAOANOX1
SCHEMBL1940449 0.74 MAOB (0.45) MAOBPARP15PARP10MAOANOX1
SCHEMBL2195545 0.74 MAOB (0.45) MAOBPARP15PARP10MAOANOX1
SCHEMBL2997270 0.72 MAOB (0.62) MAOBPARP15PARP10MAOANOX1
SCHEMBL9015450 0.72 MAOB (0.59) MAOBPARP15PARP10MAOANOX1
Hydrochloric Acid SCHEMBL9015457 0.71 MAOB (0.61) MAOBPARP15PARP10MAOANOX1
SCHEMBL27683488 0.71 MAOB (0.61) MAOBPARP15PARP10MAOANOX1
SCHEMBL1555449 0.69 MAOB (0.79) MAOBPARP15PARP10MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173679-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2012-05-08 — — US disclosed
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
US-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERAMEX (FR) 2009-01-22 — — 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 (2 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-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents ESR1, ESR2, GPER1 EPHX2 1164/4885FAAH 3925/4885CNR2 527/4885
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS ESR1, ESR2, GPER1 EPHX2 1164/4885FAAH 3925/4885CNR2 527/4885

“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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