SCHEMBL21026513

SCHEMBL21026513

CC(C)N1CCN(c2cccc(/C(=C(/CCCO)c3ccccc3)c3cccc(O)c3)c2)CC1

nearest known ligand 0.98

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 20/20 0.98
▸ ESR1 P03372 5/20 0.86
▸ KCNH2 Q12809 5/20 0.86
▸ ESRRB O95718 10/20 0.72
▸ ESRRA P11474 1/20 0.59

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
SCHEMBL20842098 0.93 ESRRG (1.00) ESRRGESR1KCNH2ESRRBESRRA
SCHEMBL20841992 0.93 ESRRG (0.85) ESRRGESR1KCNH2ESRRB
SCHEMBL24505447 0.86 ESRRG (0.73) ESRRGESR1KCNH2ESRRBESRRA
SCHEMBL20842034 0.84 ESRRG (1.00) ESRRGESR1KCNH2ESRRBESRRA
SCHEMBL21026512 0.82 ESRRG (0.87) ESRRGESR1KCNH2ESRRB
SCHEMBL20842018 0.81 ESRRG (1.00) ESRRGESR1KCNH2ESRRB
SCHEMBL20841996 0.80 ESRRG (1.00) ESRRGESR1KCNH2ESRRBESRRA
SCHEMBL24354540 0.79 ESRRG (0.64) ESRRGESR1KCNH2ESRRBESRRA
SCHEMBL20842094 0.79 ESRRG (1.00) ESRRGESR1KCNH2ESRRBESRRA
SCHEMBL20836487 0.79 ESRRG (0.98) ESRRGESR1KCNH2ESRRBESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3480186-B1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT NOVMETAPHARMA CO LTD (KR) 2022-06-15 — — EP disclosed
EP-3459936-B1 NOVEL ARYL ETHANE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT DAEGU GYEONGBUK MEDICAL INNOVATION FOUND (KR) 2022-04-27 — — EP disclosed
US-20220040171-A1 METHOD FOR TREATMENT OF CYTOKINE RELEASE SYNDROME NovMetaHealth Co., Ltd (KR) 2022-02-10 — — US disclosed
US-20210393583-A1 METHOD FOR THE TREATMENT OF PANCREATITIS NOVMETAHEALTH CO., LTD. (KR) 2021-12-23 — — US disclosed
US-10934303-B2 Aryl ethene derivative and pharmaceutical composition containing same as active ingredient DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-03-02 — — US disclosed
US-20190167820-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HWANG SUNG YEOUN (KR) 2019-06-06 — — US disclosed
US-20190161490-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT NOVMETAPHARMA CO., LTD. (KR) 2019-05-30 — — 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 (5 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-20190167820-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ESRRG, ESR2, ESR1 ESRRG 1/4885ESR1 3/4885KCNH2 3525/4885
US-20220040171-A1 METHOD FOR TREATMENT OF CYTOKINE RELEASE SYNDROME IL1B, IL1A, CCL11 ESRRG 1686/4885ESR1 2124/4885KCNH2 3696/4885
US-20210393583-A1 METHOD FOR THE TREATMENT OF PANCREATITIS PNLIP, AMY2A, CEL ESRRG 2148/4885ESR1 2923/4885KCNH2 2581/4885
US-20190161490-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ESRRG, ESR2, ESR1 ESRRG 1/4885ESR1 3/4885KCNH2 3525/4885
US-10934303-B2 Aryl ethene derivative and pharmaceutical composition containing same as active ingredient ESRRG, ESR1, ESR2 ESRRG 1/4885ESR1 2/4885KCNH2 3592/4885

“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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