SCHEMBL4173773

SCHEMBL4173773

O=Cc1ccc(CCOCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP2A6 P11509 1/20 0.43
AKR1B10 O60218 4/20 0.43
AKR1B1 P15121 4/20 0.43
RAB9A P51151 1/20 0.43
LTA4H P09960 1/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PPARG P37231 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR2 Q8TDS4 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
SCHEMBL1728331 0.90 TDP1 (0.54) TSHRTDP1L3MBTL1MAOBMAOA
SCHEMBL7369619 0.87 TSHR (0.62) TSHRMAOBMAOAALDH1A1CYP2A6
SCHEMBL14328706 0.83 MAOA (0.58) TSHRTDP1MAOBMAOAALDH1A1
SCHEMBL1066576 0.83 TSHR (0.67) TSHRTDP1L3MBTL1ALDH1A1CYP2A6
Hydrochloric Acid SCHEMBL1409425 0.81 TSHR (0.64) TSHRTDP1L3MBTL1MAOBMAOA
Water SCHEMBL28780406 0.81 TSHR (0.64) TSHRTDP1L3MBTL1ALDH1A1RAB9A
SCHEMBL2226596 0.81 ALDH1A1 (0.59) TDP1MAOBMAOAALDH1A1CYP2A6
SCHEMBL14369268 0.81 ALDH1A1 (0.59) TDP1MAOBMAOAALDH1A1CYP2A6
SCHEMBL8806830 0.81 RAB9A (0.60) MAOBMAOAALDH1A1RAB9ALTA4H
SCHEMBL4758428 0.80 SMN1; SMN2 (0.51) TSHRMAOBMAOAALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324176-B2 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-12-04 US disclosed
EP-1548024-B1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL (JP) 2012-06-06 EP disclosed
US-7635684-B2 treatment of disease associated with hyperglycemia: diabetes, impaired glucose tolerance, impaired fasting glycemia, diabetic complications or obesity; e.g. -[(4-{3-[N-(Carbamoylmethyl)-N-(methanesulfonyl)amino]-propoxy}-2-methylphenyl)methyl]-3-( beta -D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-22 US disclosed
US-20090203633-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL CO., LTD (JP) 2009-08-13 US disclosed
CN-100413878-C Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL COMPANY (JP) 2008-08-27 CN disclosed
CN-1835934-A oxazole derivatives as cyclooxygenase inhibitors ASTELLAS PHARMA INC (JP) 2006-09-20 CN disclosed
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-12-08 US disclosed
CN-1688597-A Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL COMPANY (JP) 2005-10-26 CN disclosed
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
EP-1548024-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-06-29 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 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 (3 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-20090203633-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF UGGT1, GCKR, SLC5A1 TSHR 665/4885TDP1 4297/4885L3MBTL1 745/4885
US-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 TSHR 4439/4885TDP1 3717/4885L3MBTL1 4432/4885
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof UGGT1, GCKR, SLC5A1 TSHR 665/4885TDP1 4297/4885L3MBTL1 745/4885

“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.