SCHEMBL6753858

SCHEMBL6753858

N=C1CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.54
▸ MAOB P27338 2/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ SETD7 Q8WTS6 1/20 0.42
▸ NOTUM Q6P988 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NOS3 P29474 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ PARP11 Q9NR21 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ SRD5A1 P18405 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39

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
SCHEMBL10289767 0.85 CYP2A6 (0.56) CES1MAOBCYP2A6MAOANOTUM
SCHEMBL5508289 0.81 CES1 (0.71) CES1MAOBCYP2A6MAOAALDH1A1
SCHEMBL24893653 0.81 CES1 (0.56) CES1MAOBCYP2A6MAOASETD7
Dihydrophenanthrene SCHEMBL29404495 0.80 CES1 (0.68) CES1MAOBCYP2A6MAOASETD7
Dihydrophenanthrene SCHEMBL155991 0.80 CES1 (0.68) CES1MAOBCYP2A6MAOASETD7
Dihydrophenanthrene SCHEMBL30297028 0.80 CES1 (0.68) CES1MAOBCYP2A6MAOASETD7
SCHEMBL30436624 0.77 CES1 (0.65) CES1MAOBCYP2A6MAOASETD7
Dihydrophenanthrene SCHEMBL28876918 0.77 CES1 (0.65) CES1MAOBCYP2A6MAOASETD7
Dihydrophenanthrene SCHEMBL28858771 0.77 CES1 (0.65) CES1MAOBCYP2A6MAOASETD7
SCHEMBL18938578 0.75 CES1 (0.62) CES1MAOBCYP2A6MAOASETD7

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113292448-B Indanone imine derivative and preparation method and application thereof 中山大学 2022-06-28 — — CN claimed
CN-113292448-A Indanone imine derivative and preparation method and application thereof 中山大学 2021-08-24 — — CN claimed
CN-113292448-B Indanone imine derivative and preparation method and application thereof 中山大学 2022-06-28 — — CN disclosed
CN-113292448-B Indanone imine derivative and preparation method and application thereof 中山大学 2022-06-28 — — CN disclosed
CN-113292448-B Indanone imine derivative and preparation method and application thereof 中山大学 2022-06-28 — — CN disclosed
CN-113292448-A Indanone imine derivative and preparation method and application thereof 中山大学 2021-08-24 — — CN disclosed
CN-113292448-A Indanone imine derivative and preparation method and application thereof 中山大学 2021-08-24 — — CN disclosed
CN-113292448-A Indanone imine derivative and preparation method and application thereof 中山大学 2021-08-24 — — CN disclosed
CN-104870435-B Aryl and heteroaryl-condensed lactams 辉瑞大药厂 2016-12-07 — — CN disclosed
CN-105530923-A Aryl ethers and their use PELOTON THERAPEUTICS INC 2016-04-27 — — CN disclosed
CN-104870435-A Aryl and heteroaryl fused lactams PFIZER 2015-08-26 — — CN disclosed
CN-103086834-B Preparation method of biaryl indene compounds SHANGHAI RES INST CHEMICAL IND 2015-05-27 — — CN disclosed
CN-103086834-A Preparation method of biaryl indene compounds SHANGHAI RES INST CHEMICAL IND 2013-05-08 — — CN disclosed
US-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 — — US disclosed
EP-1795344-A1 Lithographic printing plate precursor and lithographic printing method FUJIFILM Corporation (JP) 2007-06-13 — — EP disclosed
JP-2004087550-A PRINTED WIRING BOARD TOPPAN PRINTING CO LTD 2004-03-18 — — 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 (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-20120077989-A1 CYCLIC IMIDATE LIGANDS IDH2, CYCS, NAPRT CES1 4157/4885MAOB 709/4885CYP2A6 1421/4885

“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.

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