Sugi Predict

Sugi Predict / Compounds / SCHEMBL659806

SCHEMBL659806

SCHEMBL659806

Cc1ccc2c(c1C)OC(C)(C)C2=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TDP2 O95551 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ POLB P06746 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13742725 0.77 CA1 (0.42) ESR1ESR2ALDH1A1POLBNPSR1
SCHEMBL3600806 0.72 NQO1 (0.33) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL658119 0.70 ESR1 (0.33) ESR1ESR2
SCHEMBL657959 0.70 ESR1 (0.33) ESR1ESR2
SCHEMBL31448318 0.69 ESR1 (0.42) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL659098 0.69 KDM4E (0.31) KDM4EALDH1A1HPGD
SCHEMBL8948550 0.69 CES1 (0.33) ALDH1A1POLBRECQLTDP1
SCHEMBL5080247 0.68 CA1 (0.42) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL8948586 0.68 TYMS (0.40) ALDH1A1POLBRECQLNPSR1TDP1
SCHEMBL2431763 0.68 MALT1 (0.34) —

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965147-B Benzofuran derivatives 武田药品工业株式会社 2016-08-24 — — CN disclosed
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 — — US disclosed
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 — — EP disclosed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 — — EP disclosed
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 — — EP disclosed
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 — — EP disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 — — US disclosed
US-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 — — US disclosed
US-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 — — US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 — — US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 — — US disclosed
US-20090042857-A1 Novel Pharmaceutical TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 — — US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 — — US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 — — US disclosed
EP-1987827-A1 NOVEL PHARMACEUTICAL Takeda Pharmaceutical Company Limited (JP) 2008-11-05 — — EP disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 — — US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 — — US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 — — US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 — — EP disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 — — EP 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 (8 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-20120232096-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 ESR1 701/4885ESR2 971/4885KDM4E 1953/4885
US-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 ESR1 31/4885ESR2 34/4885KDM4E 1187/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 ESR1 701/4885ESR2 971/4885KDM4E 1953/4885
US-20090042857-A1 Novel Pharmaceutical AR, NR5A1, NR5A2 ESR1 28/4885ESR2 47/4885KDM4E 918/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ESR1 202/4885ESR2 622/4885KDM4E 737/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ESR1 202/4885ESR2 622/4885KDM4E 737/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 ESR1 1315/4885ESR2 1180/4885KDM4E 1734/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ESR1 202/4885ESR2 622/4885KDM4E 737/4885

“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.