SCHEMBL61981

SCHEMBL61981

CCOCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.69
PKM P14618 1/20 0.68
TSHR P16473 2/20 0.65
TP53 P04637 1/20 0.65
PLA2G4B P0C869 7/20 0.63
THRA P10827 1/20 0.61
MAPK1 P28482 2/20 0.60
HTT P42858 1/20 0.59
ALDH1A1 P00352 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
USP2 O75604 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PLA2G4A P47712 1/20 0.56

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
Hydrochloric Acid SCHEMBL10716259 0.98 RARB (0.68) RARBPKMTSHRTP53PLA2G4B
SCHEMBL9485108 0.94 RARB (0.81) RARBPKMTSHRTP53PLA2G4B
Hydrochloric Acid SCHEMBL9483368 0.92 RARB (0.78) RARBPKMTSHRTP53PLA2G4B
SCHEMBL9336539 0.91 PLA2G4B (0.71) RARBPKMTSHRTP53PLA2G4B
SCHEMBL11867659 0.91 RARB (0.59) RARBPKMTSHRTP53PLA2G4B
SCHEMBL20502046 0.89 PKM (0.78) RARBPKMTSHRTP53PLA2G4B
SCHEMBL577687 0.89 PKM (0.78) RARBPKMTSHRTP53PLA2G4B
SCHEMBL4509186 0.89 PKM (0.78) RARBPKMTSHRTP53PLA2G4B
SCHEMBL13918671 0.89 PKM (0.78) RARBPKMTSHRTP53PLA2G4B
SCHEMBL5851023 0.88 RARB (0.77) RARBPKMTSHRTP53PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-53127433-A None JP disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 US disclosed
US-20140066455-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2014-03-06 US disclosed
US-8604022-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2013-12-10 US disclosed
CN-101611014-B Amidopyrazoles as FGFR inhibitors ASTRAZENECA AB 2012-05-30 CN disclosed
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF ASTRAZENECA AB 2012-05-24 US disclosed
US-8129391-B2 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2012-03-06 US disclosed
WO-1998016622-A1 A METHOD FOR PREDISSOLVING DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-04-23 WO disclosed
US-5545349-A Bleaching composition KAO CORPORATION (JP) 1996-08-13 US disclosed
EP-0447553-A1 BLEACHING COMPOSITION Kao Corporation (JP) 1991-09-25 EP disclosed
EP-0314735-A1 LIQUID CRYSTAL MATERIAL THE GENERAL ELECTRIC COMPANY, p.l.c. (GB) 1989-05-10 EP disclosed
WO-1988008870-A1 LIQUID CRYSTAL MATERIAL THE GENERAL ELECTRIC COMPANY, P.L.C. (GB) 1988-11-17 WO disclosed
US-4707296-A LIQUID CRYSTALS, OPTICAL APPARATUS CHISSO CORPORATION (JP) 1987-11-17 US disclosed
US-4385927-A ETHER OF N-2,3-DICHLOROPHENYL P-HYDROXYBENZAMIDE HODOGAYA CHEMICAL CO., LTD. (JP) 1983-05-31 US disclosed
US-4206076-A STABILIZERS AGAINST HEAT, LIGHT, OR OXYGEN SANDOZ LTD. (CH) 1980-06-03 US disclosed
US-4158011-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1979-06-12 US disclosed
JP-S53127433-A P-(BETA-ALKOXY) ETHOXYBENZOIC ACIDS CHISSO CORP 1978-11-07 JP 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 (5 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 RARB 2308/4885PKM 1006/4885TSHR 3669/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 RARB 2118/4885PKM 1436/4885TSHR 4034/4885
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 RARB 2611/4885PKM 231/4885TSHR 3921/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 RARB 2118/4885PKM 1436/4885TSHR 4034/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 RARB 2118/4885PKM 1436/4885TSHR 4034/4885

“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.