Sugi Predict

Sugi Predict / Compounds / SCHEMBL5729901

SCHEMBL5729901

SCHEMBL5729901

COc1ccc(CCC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.65
▸ CTNNB1 P35222 1/20 0.65
▸ MAPT P10636 3/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ KCNJ1 P48048 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ ALDH1A1 P00352 5/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ GAA P10253 4/20 0.55
▸ MAPK1 P28482 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ BMP1 P13497 1/20 0.52
▸ F2RL1 P55085 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ ERBB2 P04626 1/20 0.51
▸ HTT P42858 1/20 0.49

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
SCHEMBL6554205 0.93 KMT2A (0.57) BCL9CTNNB1MAPTRAB9AKCNJ1
SCHEMBL6554428 0.92 BCL9 (0.55) BCL9CTNNB1MAPTRAB9AKCNJ1
SCHEMBL6554410 0.91 BCL9 (0.54) BCL9CTNNB1MAPTRAB9AKCNJ1
SCHEMBL16056068 0.89 BCL9 (0.65) BCL9CTNNB1MAPTRAB9AKCNH2
SCHEMBL12715327 0.87 BCL9 (0.62) BCL9CTNNB1MAPTRAB9AKCNH2
SCHEMBL16055480 0.86 BCL9 (0.61) BCL9CTNNB1MAPTRAB9AKCNJ1
SCHEMBL16055727 0.86 BCL9 (0.61) BCL9CTNNB1MAPTRAB9AKCNH2
SCHEMBL16056553 0.86 BCL9 (0.61) BCL9CTNNB1MAPTRAB9AALDH1A1
SCHEMBL9523677 0.86 KMT2A (0.60) BCL9CTNNB1MAPTKCNH2ALDH1A1
SCHEMBL6659906 0.86 BCL9 (0.64) BCL9CTNNB1MAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306097-B2 Activation of carbonyl beta-carbons for chemical transformations NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2022-04-19 — — US disclosed
US-11306097-B2 Activation of carbonyl beta-carbons for chemical transformations NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2022-04-19 — — US disclosed
US-20190337955-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS UNIV NANYANG TECH (SG) 2019-11-07 — — US disclosed
US-20190337955-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS UNIV NANYANG TECH (SG) 2019-11-07 — — US disclosed
US-20160039827-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-02-11 — — US disclosed
US-20160039827-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-02-11 — — US disclosed
WO-2014142755-A1 ACTIVATION OF CARBONYL β-CARBONS FOR CHEMICAL TRANSFORMATIONS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-09-18 — — WO 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-20030065012-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2003-04-03 — — 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-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 — — US 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

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-20160039827-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS CBR1, CBR3, CAT BCL9 2768/4885CTNNB1 182/4885MAPT 2953/4885
US-20010036956-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 BCL9 1935/4885CTNNB1 3579/4885MAPT 1579/4885
US-20190337955-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS CBR1, CBR3, CAT BCL9 2768/4885CTNNB1 182/4885MAPT 2953/4885
US-11306097-B2 Activation of carbonyl beta-carbons for chemical transformations CBR1, CBR3, CAT BCL9 2768/4885CTNNB1 182/4885MAPT 2953/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 BCL9 1935/4885CTNNB1 3579/4885MAPT 1579/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 BCL9 451/4885CTNNB1 3705/4885MAPT 2526/4885

“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.