SCHEMBL94817

SCHEMBL94817

CCC=C(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CES1 P23141 5/20 0.41
CES2 O00748 4/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL3680121 1.00 ATM (0.43) ATMNFE2L2CES1CES2CA12
SCHEMBL11879384 0.87 MAPT (0.52) MAPTSMN1; SMN2KDM4EHPGDNPC1
SCHEMBL11879398 0.87 MAPT (0.52) MAPTSMN1; SMN2KDM4EHPGDNPC1
SCHEMBL95443 0.81 CYP3A4 (0.43) ATMNFE2L2CES1CES2CA12
SCHEMBL3962527 0.81 ATM (0.45) ATMCES1CES2MTNR1AMTNR1B
SCHEMBL3962524 0.81 ATM (0.45) ATMCES1CES2MTNR1AMTNR1B
SCHEMBL4115472 0.81 CYP3A4 (0.43) ATMNFE2L2CES1CES2CA12
SCHEMBL1226475 0.80 MTNR1A (0.52) ATMCES1CES2MTNR1AMTNR1B
SCHEMBL2089770 0.79 PTGS1 (0.43) ATMCES1CES2MAPTKDM4E
SCHEMBL14457632 0.79 PTGS1 (0.43) ATMCES1CES2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016120890-A1 AN ENANTIOSELECTIVE PROCESS FOR THE SYNTHESIS OF (2S,4R)-4-HYDROXYPIPECOLIC ACID COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-08-04 WO claimed
CN-107207421-B Novel trifluoromethylpropionamide derivatives 豪夫迈·罗氏有限公司 2021-04-20 CN disclosed
CN-106471405-B Optical resin composition and film 株式会社钟化 2019-05-03 CN disclosed
CN-102939550-B Phase retardation film and the image display device possessing this phase retardation film 株式会社日本触媒 2016-11-23 CN disclosed
WO-2016120890-A1 AN ENANTIOSELECTIVE PROCESS FOR THE SYNTHESIS OF (2S,4R)-4-HYDROXYPIPECOLIC ACID COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-08-04 WO disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
CN-105503699-A Oxo carbon-based compounds, a resin composition comprising the same and a filter containing the resin composition NIPPON CATALYTIC CHEM IND 2016-04-20 CN disclosed
CN-103313838-B Method for producing long polymer film, lambda/4 plate, polarizing plate, and liquid crystal display device KONICA MINOLTA,INC. (JP) 2015-11-25 CN disclosed
CN-105074517-A Optical film and method for fabrication of same, and polarizing plate, liquid-crystal display device, and polarizing projector screen provided with optical film JX NIPPON OIL & ENERGY CORP 2015-11-18 CN disclosed
CN-105009190-A Image display device NITTO DENKO CORP 2015-10-28 CN disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
US-6979710-B2 Curable fluoropolyether rubber compositions and rubber articles SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-12-27 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
US-20050043480-A1 Curable fluoropolyether rubber compositions and rubber articles SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-02-24 US disclosed
EP-1422260-A2 Curable fluoropolyether rubber compositions and rubber articles SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-05-26 EP disclosed
US-20040096667-A1 Curable fluoropolyether rubber compositions and rubber articles SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-05-20 US disclosed
EP-1389632-A1 Curable fluoropolyether rubber compositions and rubber articles SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-02-18 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 (1 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ATM 3644/4885NFE2L2 846/4885CES1 2795/4885

“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.