SCHEMBL514859

SCHEMBL514859

CC(=NO)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 6/20 0.56
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
STAT3 P40763 1/20 0.45
STAT1 P42224 1/20 0.45
POLB P06746 1/20 0.44
CASP3 P42574 1/20 0.44
GFER P55789 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CYP1A2 P05177 2/20 0.43

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
SCHEMBL514858 1.00 CA9 (0.56) CA9ALDH1A1LMNACES2CES1
SCHEMBL12741076 1.00 CA9 (0.56) CA9ALDH1A1LMNACES2CES1
SCHEMBL28264695 0.97 CA9 (0.54) CA9ALDH1A1LMNACES2CES1
SCHEMBL8306282 0.93 CA9 (0.51) CA9ALDH1A1LMNACES2CES1
SCHEMBL12360950 0.89 CA9 (0.52) CA9ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL14298196 0.89 CA9 (0.52) CA9ALDH1A1LMNASMN1; SMN2MAPT
Toluene SCHEMBL28232902 0.83 LMNA (0.50) CA9ALDH1A1LMNACES2CES1
SCHEMBL12082305 0.82 CA9 (0.44) CA9ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL10886275 0.82 CA9 (0.44) CA9ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL13645704 0.81 CA9 (0.47) CA9ALDH1A1LMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119059919-A Process for preparing 1- (4-methylphenyl) ethylamine 山东智荟检测科技有限公司 2024-12-03 CN claimed
CN-117720433-A Preparation method and application of oxime carbonate compound 河南农业大学 2024-03-19 CN claimed
CN-112574135-B 4-aryl-5-thioether-2-difluoromethyl oxazole, and derivatives and synthesis method thereof 湖南工程学院 2022-09-23 CN claimed
CN-112574135-A 4-aryl-5-thioether-2-difluoromethyl oxazole, and derivatives and synthesis method thereof 湖南工程学院 2021-03-30 CN claimed
CN-108355709-B Application of bismuth trifluoromethanesulfonate as Beckmann rearrangement reaction catalyst 嘉兴学院 2020-12-08 CN claimed
CN-109705146-A 2- amino benzo [4,5] thieno [3,2-d] thiazole, derivative and its synthetic method 湘潭大学 2019-05-03 CN claimed
CN-106518707-B Method for preparing amide 南京工业大学 2018-02-06 CN claimed
CN-107011201-A Preparation method of amide 南京工业大学 2017-08-04 CN claimed
CN-106518707-A Method for preparing amide 南京工业大学 2017-03-22 CN claimed
CN-119059919-A Process for preparing 1- (4-methylphenyl) ethylamine 山东智荟检测科技有限公司 2024-12-03 CN disclosed
CN-118440019-A Triazinyl diketone oxime ester compound and preparation method and application thereof 湖南省农业生物技术研究所 2024-08-06 CN disclosed
CN-117720433-A Preparation method and application of oxime carbonate compound 河南农业大学 2024-03-19 CN disclosed
US-20230172206-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS II BASF SE (DE) 2023-06-08 US disclosed
CN-110642748-B O- (2-trifluoromethyl-2-hydroxyethyl) oxime ether derivative and synthetic method and application thereof 华南理工大学 2023-03-31 CN disclosed
US-5213946-A POSITIVE TYPE, PHOTOSENSITIVE RESINOUS COMPOSITION NIPPON PAINT CO., LTD. (JP) 1993-05-25 US disclosed
EP-0519128-A1 A positive type, photosensitive resinous composition Nippon Paint Co., Ltd. (JP) 1992-12-23 EP disclosed
US-4869995-A Positive type photosensitive resinous composition NIPPON PAINT CO., LTD. (JP) 1989-09-26 US disclosed
EP-0293058-A2 A positive photosensitive resinous composition Nippon Paint Co., Ltd. (JP) 1988-11-30 EP disclosed
US-4086243-A Intermediates in the preparation of isoxazolyl benzamides SANDOZ, INC. (US) 1978-04-25 US disclosed
US-3987179-A ISOXAZOLYL BENZAMIDES AS PHARMACOLOGICAL AGENTS SANDOZ, INC. (US) 1976-10-19 US 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-20230172206-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS II COX5B, SQOR, UQCRB CA9 598/4885ALDH1A1 4256/4885LMNA 3500/4885

“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.