SCHEMBL940829

SCHEMBL940829

CCCPc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
SIGMAR1 Q99720 2/20 0.33
PSIP1 O75475 1/20 0.32
ESR1 P03372 1/20 0.31
AOC3 Q16853 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
LTA4H P09960 1/20 0.31
LMNA P02545 3/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
CA12 O43570 1/20 0.30
GLA P06280 1/20 0.30
CA3 P07451 1/20 0.30

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 SCHEMBL9619416 0.97 TP53 (0.36) TP53SIGMAR1PSIP1ESR1AOC3
Bromide SCHEMBL29193880 0.97 TP53 (0.36) TP53SIGMAR1PSIP1ESR1AOC3
SCHEMBL28095223 0.91 TP53 (0.32) TP53
SCHEMBL367263 0.85 LTA4H (0.38) TP53SIGMAR1ESR1CES2CES1
Bromide SCHEMBL25216737 0.83 LTA4H (0.36) TP53SIGMAR1ESR1CES2CES1
Hydrochloric Acid SCHEMBL11572419 0.83 LTA4H (0.36) TP53SIGMAR1ESR1CES2CES1
SCHEMBL3445934 0.83 LTA4H (0.38) TP53SIGMAR1CES2CES1PCSK9
SCHEMBL27678592 0.83 LTA4H (0.36) TP53SIGMAR1ESR1CES2CES1
Hydrochloric Acid SCHEMBL9619305 0.83 LTA4H (0.36) TP53SIGMAR1ESR1CES2CES1
Butane SCHEMBL27520586 0.83 LTA4H (0.36) TP53SIGMAR1ESR1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372209-B Synthesis method of megastigmatrienone 上海烟草集团有限责任公司 2022-09-13 CN claimed
CN-114573422-A Treatment method of 3-methyl-3-butene-1-ol process waste liquid 万华化学集团股份有限公司 2022-06-03 CN claimed
CN-113372209-A Synthesis method of megastigmatrienone 上海烟草集团有限责任公司 2021-09-10 CN claimed
CN-109651195-A The method of 2- allyl acetonitrile isomerization reaction generation 3 pentene nitrile 安徽省安庆市曙光化工股份有限公司 2019-04-19 CN claimed
CN-108849880-A A kind of pesticidal preparations, preparation method and production equipment 苏州富美实植物保护剂有限公司 2018-11-23 CN claimed
CN-106518805-A New method for simple synthesis of 2, 4-disubstituted selenazole compound 中国科学院生态环境研究中心 2017-03-22 CN claimed
CN-104011089-B Process for producing alpha-olefin 出光兴产株式会社 2016-08-24 CN claimed
CN-1269135-A Pesticidal formulations for application on water NIPPON BAYER FARM CHEMICALS CO (JP) 2000-10-11 CN claimed
EP-0774514-B1 A method for quantitatively determining creatine kinase and a reagent therefor KYOWA MEDEX CO LTD (JP) 2000-03-08 EP claimed
EP-0435073-A1 Sulphonated propylphenyl phosphanes, their preparation and use HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-03 EP claimed
EP-3848399-B1 TRANSITION METAL COMPOUND AND METHOD FOR PRODUCING OLEFIN POLYMER IDEMITSU KOSAN CO (JP) 2024-07-10 EP disclosed
US-11795188-B2 Transition metal compound and method for producing olefin polymer IDEMITSU KOSAN CO., LTD. (JP) 2023-10-24 US disclosed
US-20230235202-A1 PLASTICIZER FOR RESINS IDEMITSU KOSAN CO.,LTD. (JP) 2023-07-27 US disclosed
US-20230234965-A1 N-LINKED MACROCYCLIC 4-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-07-27 US disclosed
CN-115996701-A Method for treating keratin fibres using a high concentration of a specific amino acid 莱雅公司 2023-04-21 CN disclosed
US-4265827-A METHYLCYCOHEXYL-O-ANISYLARSINE OPTICALLY ACTIVE CATALYST MONSANTO COMPANY (US) 1981-05-05 US disclosed
US-4261919-A OF BETA-SUBSTITUTED-ALPHA-ACYLAMIDO-ACRYLIC ACIDS TO YIELD OPTICALLY ACTIVE MIXTURE MONSANTO COMPANY (US) 1981-04-14 US disclosed
US-4124533-A HYDROGENATION CATALYSTS MONSANTO COMPANY (US) 1978-11-07 US disclosed
US-4119652-A HYDROGENATION CATALYSTS; COORDINATION COMPOUNDS OF IRIDIUM, RHODIUM OR RUTHENIUM WITH PHOSPHINE OR ARSINE LIGANDS; OPTICALLY ACTIVE MONSANTO COMPANY (US) 1978-10-10 US disclosed
US-3968147-A COORDINATION CATALYST MONSANTO COMPANY (US) 1976-07-06 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 (2 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-20230234965-A1 N-LINKED MACROCYCLIC 4-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 MCL1, BCL2L1, BAK1 TP53 36/4885SIGMAR1 3818/4885PSIP1 1874/4885
US-11795188-B2 Transition metal compound and method for producing olefin polymer H1-0, C9, C5 TP53 4304/4885SIGMAR1 796/4885PSIP1 1801/4885

“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.