SCHEMBL2965375

SCHEMBL2965375

Cc1ccc(C)n1-c1cccc(CC(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
PDE10A Q9Y233 5/20 0.33
TRPV3 Q8NET8 2/20 0.33
PLA2G10 O15496 2/20 0.33
PLA2G2A P14555 2/20 0.33
PLA2G5 P39877 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
RORC P51449 2/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 2/20 0.30
L3MBTL1 Q9Y468 2/20 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
SCHEMBL30464666 1.00 NOS3 (0.35) NOS3NOS1NOS2PDE10ATRPV3
SCHEMBL2015923 0.80 PDE10A (0.36) PDE10AKDM4EHPGDGAAALDH1A1
SCHEMBL13040613 0.78 PLA2G10 (0.35) PDE10ATRPV3PLA2G10PLA2G2APLA2G5
SCHEMBL8329440 0.78 NOS2 (0.53) NOS3NOS1NOS2TLR7KDM4E
SCHEMBL2974037 0.77 KCNH2 (0.43) NOS3NOS1NOS2PDE10AUSP2
SCHEMBL3625374 0.77 GABRA1 (0.44) NOS3NOS1NOS2TLR7GABRA1
SCHEMBL18586993 0.77 MAPT (0.45) KDM4EHSD17B10USP2HPGDGAA
SCHEMBL7202960 0.76 IRAK4 (0.41) NOS1NOS2PDE10AKDM4EALDH1A1
SCHEMBL2968640 0.75 KCNH2 (0.53) NOS2PDE10ATLR7
SCHEMBL2614966 0.74 KDM4E (0.46) NOS3NOS1NOS2GABRA1GABRB2

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-113614087-B WEE1 inhibitor and preparation and application thereof 首药控股(北京)股份有限公司 2023-06-02 CN disclosed
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (beijing) Co., Ltd. (CN) 2022-06-23 US disclosed
EP-3943496-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (Beijing) Co., Ltd. (CN) 2022-01-26 EP disclosed
EP-3943496-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (Beijing) Co., Ltd. (CN) 2022-01-26 EP disclosed
CN-113614087-A WEE1 inhibitor, and preparation and application thereof 首药控股(北京)股份有限公司 2021-11-05 CN disclosed
WO-2020192581-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF 首药控股(北京)有限公司 2020-10-01 WO disclosed
WO-2020192581-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF 首药控股(北京)有限公司 2020-10-01 WO disclosed
CN-111718348-A WEE1 inhibitor, and preparation and application thereof 首药控股(北京)有限公司 2020-09-29 CN disclosed
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO 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 (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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 NOS3 1387/4885NOS1 1404/4885NOS2 1264/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 NOS3 1387/4885NOS1 1404/4885NOS2 1264/4885
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF WEE1, WEE2, RCE1 NOS3 3669/4885NOS1 2595/4885NOS2 3475/4885

“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.