Sugi Predict

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SCHEMBL5218170

SCHEMBL5218170

COc1cccc(C(=O)C(C)C(=O)c2cccc(OC)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.67
▸ CES1 P23141 1/20 0.67
▸ PARP1 P09874 1/20 0.62
▸ CHRNA1 P02708 1/20 0.61
▸ CHRNG P07510 1/20 0.61
▸ CHRNB1 P11230 1/20 0.61
▸ CHRNB2 P17787 1/20 0.61
▸ SLC6A2 P23975 1/20 0.61
▸ CHRNB4 P30926 1/20 0.61
▸ CHRNA3 P32297 1/20 0.61
▸ CHRNA4 P43681 1/20 0.61
▸ SLC6A3 Q01959 1/20 0.61
▸ CHRND Q07001 1/20 0.61
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ PRSS1 P07477 1/20 0.53
▸ PRSS2 P07478 1/20 0.53
▸ PRSS3 P35030 1/20 0.53

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
SCHEMBL29589129 0.95 CES2 (0.61) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL15286432 0.91 CES2 (0.61) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL13304065 0.90 CES2 (0.59) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL7427631 0.89 CES2 (0.67) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL20090393 0.87 CES2 (0.65) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL15007434 0.87 CES2 (0.65) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL2599155 0.87 CES2 (0.65) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL29589183 0.87 CHRNA1 (0.57) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL29589521 0.87 CES2 (0.56) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL27570692 0.87 CES2 (0.56) CES2CES1PARP1CHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 — — US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 — — EP disclosed
EP-1102755-B1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORP (US) 2006-01-04 — — EP disclosed
US-6869969-B2 Estrogen receptor modulators CHIRON CORPORATION (US) 2005-03-22 — — US disclosed
US-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 — — US disclosed
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors CHIRON CORPORATION 2004-05-27 — — US disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 — — US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 — — US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 — — US disclosed
US-20030065012-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2003-04-03 — — US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 — — US disclosed
US-6387920-B2 ISOXAZOLE COMPOUNDS; FOR TREATING ESTROGEN RECEPTOR-MEDIATED DISORDERS SUCH AS OSTEOPOROSIS, BREAST AND ENDOMETRIAL CANCERS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE CHIRON CORPORATION 2002-05-14 — — US disclosed
US-20010036956-A1 Estrogen receptor modulators HUEBNER VERENA D (US) 2001-11-01 — — US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 — — US disclosed
US-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 — — US disclosed
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 — — EP disclosed
EP-1102755-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 — — EP disclosed
WO-2000008001-A1 SUBSTITUTED ISOXAZOLE AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 — — WO disclosed
WO-2000007996-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 — — 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 (6 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-20010036956-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 CES2 1708/4885CES1 852/4885PARP1 2913/4885
US-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 CES2 3073/4885CES1 801/4885PARP1 2009/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 CES2 1708/4885CES1 852/4885PARP1 2913/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 CES2 3073/4885CES1 801/4885PARP1 2009/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 CES2 3073/4885CES1 801/4885PARP1 2009/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 CES2 514/4885CES1 425/4885PARP1 999/4885

“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.