SCHEMBL8751

SCHEMBL8751

O=C1CCc2ccc(O)cc2N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.62
NPC1 O15118 1/20 0.55
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
MAOB P27338 9/20 0.51
MAOA P21397 7/20 0.51
PBRM1 Q86U86 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
CRBN Q96SW2 1/20 0.48
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46
AOC3 Q16853 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL29438605 1.00 CA9 (0.62) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL4462879 0.89 MAPT (0.58) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL426336 0.85 NPC1 (0.55) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL14188941 0.84 CA9 (0.45) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL31478025 0.82 AHR (0.61) CA9MAOBMAOACRBNSMYD3
SCHEMBL1833499 0.82 AHR (0.61) CA9MAOBMAOACRBNSMYD3
SCHEMBL14188943 0.79 MAOA (0.46) CA9MAOBMAOAPBRM1CRBN
Hydrochloric Acid SCHEMBL27809974 0.78 CA9 (0.54) CA9NPC1MAPK13MAPK12MAPK11
Phenol SCHEMBL6582797 0.78 NPC1 (0.56) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL8103853 0.77 CA9 (0.62) CA9NPC1MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789596-A 2,6,10, 14-tetramethyl pentadecane derivative compound and preparation method and application thereof 南京师范大学 2023-09-22 CN claimed
CN-115340494-A Synthesis method of high-purity aripiprazole 安徽修一制药有限公司 2022-11-15 CN claimed
CN-112745262-B Preparation method of brexpiprazole intermediate 7-hydroxy-1H-quinoline-2-ketone 江苏恩华药业股份有限公司 2022-07-12 CN claimed
CN-113214150-A Synthesis of high-purity aripiprazole and preparation method of hydrate particles thereof 北京逸诚医药科技有限公司 2021-08-06 CN claimed
CN-107525877-B Method for separating and determining brexpiprazole and impurities thereof by adopting liquid chromatography 重庆医药工业研究院有限责任公司 2021-08-03 CN claimed
CN-112745262-A Preparation method of brexpiprazole intermediate 7-hydroxy-1H-quinoline-2-ketone 江苏恩华药业股份有限公司 2021-05-04 CN claimed
CN-112479999-A Synthetic method of medical intermediate for preparing mental drugs 谢小芬 2021-03-12 CN claimed
CN-110128336-A A kind of preparation method of Aripiprazole 岳阳新华达制药有限公司 2019-08-16 CN claimed
US-10092786-B2 Fire extinguishing composition comprising aldoketones compound XI'AN WESTPEACE FIRE TECHNOLOGY CO., LTD. (CN) 2018-10-09 US claimed
US-20180155290-A1 Improved Process for the Preparation of Aripiprazole with Reduced Particle Size RAO, Davuluri Ramamohan (IN) 2018-06-07 US claimed
CN-1303068-C Preparation of Alipioxazole NO 2 MILITARY MEDICAL UNIV P L (CN) 2007-03-07 CN claimed
US-20060258869-A1 Process for the preparation of aripiprazole ALEMBIC LIMITED (IN) 2006-11-16 US claimed
CN-1784385-A Process for the preparation of carbostyril derivatives, such as aripiprazole and its intermediates DELMAR CHEMICALS INC (CA) 2006-06-07 CN claimed
US-20060079690-A1 Processes for preparing 7-hydroxy-3,4-dihydro-2(1H)-quinolinone and the use in aripiprazole preparation thereof CHEMAGIS LTD. (IL) 2006-04-13 US claimed
WO-2006030446-A1 PROCESS FOR THE PREPARATION OF POLYMORPHS, SOLVATES OF ARIPIPRAZOLE USING ARIPIPRAZOLE ACID SALTS MATRIX LABORATORIES LTD (IN) 2006-03-23 WO claimed
WO-2006001846-A1 METHOD OF MAKING 7-(4-BROMOBUTOXY)-3,4-DIHYDROCARBOSTYRIL TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-01-05 WO claimed
CN-1680328-A Preparation of Alipioxazole NO 2 MILITARY MEDICAL UNIV P L (CN) 2005-10-12 CN claimed
US-20050215585-A1 Method of making 7-(4-bromobutoxy)-3,4-dihydrocarbostyril TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-09-29 US claimed
CN-1618791-A New synthesis method of alipirazole SHANGHAI TEHUA MEDICINE SCIENC (CN) 2005-05-25 CN claimed
CN-1513838-A Pot cooking sythesis method of alipyracole 江苏吴中苏药医药开发有限责任公司 2004-07-21 CN claimed

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-20180155290-A1 Improved Process for the Preparation of Aripiprazole with Reduced Particle Size CYP2F1, CYP3A4, CYP2A6 CA9 2223/4885NPC1 1365/4885MAPK13 4647/4885
US-20060258869-A1 Process for the preparation of aripiprazole CYP2F1, CYP3A4, CYP2A7 CA9 2262/4885NPC1 3413/4885MAPK13 4608/4885
US-20060079690-A1 Processes for preparing 7-hydroxy-3,4-dihydro-2(1H)-quinolinone and the use in aripiprazole preparation thereof CYP2A7, CYP3A7, CYP3A5 CA9 2015/4885NPC1 3796/4885MAPK13 4276/4885

“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.