SCHEMBL58301

SCHEMBL58301

C[C](C)COCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL10242706 0.84 ALDH1A1 (0.57) ALDH1A1TDP1CA1CA2CA9
Acetone SCHEMBL27310709 0.81 ALDH1A1 (0.57) ALDH1A1TDP1CA1CA2CA9
SCHEMBL198134 0.79 TSHR (0.52) ALDH1A1TDP1CA1CA2CA9
SCHEMBL16542330 0.79 TDP1 (0.43) ALDH1A1TDP1CA1CA2CA9
SCHEMBL3248092 0.79 FFAR4 (0.55) TDP1HCAR2FFAR1ESR1ESR2
SCHEMBL5450319 0.78 TSHR (0.61) ALDH1A1CA1CA2CA9IDO1
SCHEMBL3884363 0.78 FFAR4 (0.54) TDP1HCAR2FFAR1ESR1ESR2
Hydrochloric Acid SCHEMBL7690739 0.78 FFAR4 (0.54) TDP1HCAR2FFAR1ESR1ESR2
SCHEMBL5060301 0.77 TDP1 (0.50) ALDH1A1TDP1CA9HCAR2NPC1
SCHEMBL16594609 0.77 KDM4E (0.44) ALDH1A1TDP1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102725269-B synthetic intermediate of oxazole compound and preparation method thereof OTSUKA PHARMA CO LTD 2015-03-25 — — CN disclosed
EP-2528896-B1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME OTSUKA PHARMA CO LTD (JP) 2014-08-27 — — EP disclosed
US-8598358-B2 Synthetic intermediate of oxazole compound and method for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 — — US disclosed
US-8552188-B2 Epoxy compound and method for manufacturing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 — — US disclosed
EP-2644599-A1 Method for preparing 1-substituted-4-nitroimidazole compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-02 — — EP disclosed
US-20130072683-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-21 — — US disclosed
US-8344148-B2 Epoxy compound and method for manufacturing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-01 — — US disclosed
US-20120302757-A1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-29 — — US disclosed
CN-102725269-A Synthetic intermediate of oxazole compound and preparation method thereof OTSUKA PHARMA CO LTD 2012-10-10 — — CN disclosed
CN-101675044-B Epoxy compound and process for producing the same OTSUKA PHARMA CO LTD 2012-10-03 — — CN disclosed
US-7368579-B2 1-substituted-4-nitroimidazole compound and process for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 — — US disclosed
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO. LTD. 2008-04-24 — — US disclosed
CN-1326840-C 1-substituted-4-nitroimidazole compounds and process for preparing same OTSUKA PHARMA CO LTD (JP) 2007-07-18 — — CN disclosed
US-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-13 — — US disclosed
CN-1692103-A 1-substituted-4-nitroimidazole compounds and process for preparing same OTSUKA PHARMA CO LTD (JP) 2005-11-02 — — CN disclosed
EP-1553088-A1 1-SUBSTITUTED 4-NITROIMIDAZOLE COMPOUND AND PROCESS FOR PRODUCING THE SAME Otsuka Pharmaceutical Company, Limited (JP) 2005-07-13 — — EP disclosed
CN-1131213-C Carbostyril derivatives as antithrombotic agents NISHI MEDICAL RES INST CO LTD (JP) 2003-12-17 — — CN disclosed
EP-0796248-B1 CARBOSTYRIL DERIVATIVES AS ANTITHROMBOTIC AGENTS WESTERN THERAPEUTICS INST D (JP) 2001-08-16 — — EP disclosed
US-6143763-A Carbostyril derivatives D. WESTERN THERAPEUTICS INSTITIUTE (JP) 2000-11-07 — — US disclosed
CN-1172478-A Quinolone derivative antithrombotic agent OTSUKA PHARMA CO LTD (JP) 1998-02-04 — — CN 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 (4 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-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same CBR1, CBR3, DCXR ALDH1A1 780/4885TDP1 3453/4885CA1 3544/4885
US-20120302757-A1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME GLP1R, HBB, OXA1L ALDH1A1 132/4885TDP1 3602/4885CA1 1745/4885
US-20130072683-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME SQLE, CYP2E1, CYP1A1 ALDH1A1 82/4885TDP1 4195/4885CA1 3002/4885
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR ALDH1A1 836/4885TDP1 3348/4885CA1 3399/4885

“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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