Sugi Predict

Sugi Predict / Compounds / SCHEMBL1207463

SCHEMBL1207463

SCHEMBL1207463

CCOc1[c]cc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NPBWR1 P48145 1/20 0.30
▸ MCHR1 Q99705 1/20 0.30

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
SCHEMBL8782085 0.83 ALDH1A1 (0.34) TSHRMAPTL3MBTL1ALDH1A1POLB
SCHEMBL3525229 0.82 LTA4H (0.36) TSHRALDH1A1RAB9AKDM4E
SCHEMBL29167683 0.79 PTPN1 (0.36) —
SCHEMBL10887378 0.79 NR5A1 (0.41) TDP1TSHRMAPTALDH1A1RAB9A
SCHEMBL220772 0.78 NQO1 (0.54) NQO1TDP1TSHRMAPTALDH1A1
SCHEMBL9475222 0.78 ALDH1A1 (0.36) TSHRMAPTL3MBTL1ALDH1A1POLB
SCHEMBL21268421 0.78 TSHR (0.35) TDP1TSHRMAPTL3MBTL1ALDH1A1
SCHEMBL2885035 0.77 NQO1 (0.36) NQO1TDP1TSHRMAPTALDH1A1
SCHEMBL264478 0.77 L3MBTL1 (0.38) NQO1TDP1TSHRMAPTL3MBTL1
SCHEMBL220659 0.77 NQO1 (0.36) NQO1TDP1TSHRRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 — — WO claimed
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 — — EP claimed
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-23 — — US claimed
US-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 — — US claimed
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-03 — — US claimed
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 — — US claimed
US-9156829-B2 Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 — — US claimed
US-20150232460-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 — — US claimed
US-8486931-B2 Substituted oxindole compounds ABBOTT GMBH & CO. KG (DE) 2013-07-16 — — US claimed
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 — — US claimed
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 — — US claimed
US-20100286165-A1 SUBSTITUTED OXINDOLE COMPOUNDS ABBOTT GMBH & CO. KG (DE) 2010-11-11 — — US claimed
EP-2051974-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2009-04-29 — — EP claimed
WO-2008107399-A1 SUBSTITUTED OXINDOLE COMPOUNDS ABBOTT GMBH & CO. KG (DE) 2008-09-12 — — WO claimed
WO-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 — — WO claimed
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 — — US claimed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 — — EP claimed
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 — — WO disclosed
US-4749809-A Optically active borane complex and a method for producing an optically active alcohol derivative by the use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-07 — — US disclosed
EP-0171175-A1 An optically active borane complex and a method for producing an optically active alcohol derivative by the use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-02-12 — — 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 (9 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-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R NQO1 2546/4885TDP1 4562/4885TSHR 99/4885
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, CCAR2, BCL2 NQO1 1177/4885TDP1 595/4885TSHR 1194/4885
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD NQO1 510/4885TDP1 652/4885TSHR 1203/4885
US-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 NQO1 957/4885TDP1 4071/4885TSHR 1728/4885
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R NQO1 2589/4885TDP1 4433/4885TSHR 93/4885
US-20100286165-A1 SUBSTITUTED OXINDOLE COMPOUNDS OXTR, AVPR2, AVPR1A NQO1 410/4885TDP1 1657/4885TSHR 81/4885
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R NQO1 2589/4885TDP1 4433/4885TSHR 93/4885
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R NQO1 2546/4885TDP1 4562/4885TSHR 99/4885
US-20150232460-A1 NOVEL COMPOUNDS CNKSR1, RDX, RB1 NQO1 978/4885TDP1 2771/4885TSHR 196/4885

“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.