SCHEMBL24118908

SCHEMBL24118908

OCCC/C(=C(/c1ccc(C2CCN(C3CC3)CC2)cc1)c1cccc(O)c1)c1cc#ccc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 20/20 0.77
▸ ESRRB O95718 10/20 0.66
▸ ESR1 P03372 7/20 0.66
▸ ESRRA P11474 2/20 0.61
▸ KCNH2 Q12809 1/20 0.58

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
SCHEMBL20842014 0.88 ESRRG (0.98) ESRRGESRRBESR1ESRRAKCNH2
SCHEMBL24354483 0.84 ESRRG (0.91) ESRRGESRRBESR1ESRRAKCNH2
SCHEMBL20842168 0.82 ESRRG (0.98) ESRRGESRRBESR1ESRRAKCNH2
SCHEMBL21026578 0.81 ESRRG (0.85) ESRRGESRRBESR1ESRRAKCNH2
SCHEMBL20842053 0.80 ESRRG (1.00) ESRRGESRRBESR1ESRRAKCNH2
SCHEMBL20978480 0.78 ESRRG (0.84) ESRRGESRRBESR1ESRRAKCNH2
SCHEMBL20842127 0.77 ESRRG (0.98) ESRRGESRRBESR1ESRRAKCNH2
SCHEMBL30065746 0.77 ESRRG (0.78) ESRRGESRRBESR1ESRRAKCNH2
SCHEMBL20842100 0.76 ESRRG (0.98) ESRRGESRRBESR1ESRRAKCNH2
SCHEMBL20842117 0.75 ESRRG (0.98) ESRRGESRRBESR1ESRRAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210393583-A1 METHOD FOR THE TREATMENT OF PANCREATITIS NOVMETAHEALTH CO., LTD. (KR) 2021-12-23 — — 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-20210393583-A1 METHOD FOR THE TREATMENT OF PANCREATITIS PNLIP, AMY2A, CEL ESRRG 2148/4885ESRRB 1890/4885ESR1 2923/4885

“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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