SCHEMBL3718546

SCHEMBL3718546

CC(C)COc1ccc(C=O)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.45
ALDH1A1 P00352 10/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A3 P47895 2/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH3A1 P30838 1/20 0.42
XDH P47989 1/20 0.42
PDE4B Q07343 1/20 0.40
AOX1 Q06278 1/20 0.40
IGF1R P08069 1/20 0.40
HIF1A Q16665 1/20 0.39
RECQL P46063 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
SCHEMBL22693817 0.86 ALDH1A3 (0.44) FDPSALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28801573 0.84 FDPS (0.50) FDPSALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14747058 0.84 ALDH1A1 (0.43) FDPSALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15331450 0.83 ALDH1A1 (0.45) FDPSALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL25327365 0.82 FDPS (0.50) FDPSALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL5448983 0.82 FDPS (0.46) FDPSALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL493460 0.81 ALDH1A1 (0.60) FDPSALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16164351 0.81 ALDH1A1 (0.40) FDPSALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4288561 0.81 ALDH1A1 (0.60) FDPSALDH1A1SMN1; SMN2RAB9ATSHR
SCHEMBL1339632 0.81 ALDH1A1 (0.50) FDPSALDH1A1SMN1; SMN2MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105881-B Platelet aggregation inhibitor, and preparation method and application thereof 沈阳海诺威医药科技有限公司 2024-01-26 CN disclosed
EP-3960734-B1 PLATELET AGGREGATION INHIBITOR, PREPARATION AND USES THEREOF SHENYANG HINEWY PHARMACEUTICAL TECH CO LTD (CN) 2023-10-11 EP disclosed
US-11713300-B2 Platelet aggregation inhibitor, preparation and uses thereof SHENYANG HINEWY PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-08-01 US disclosed
CN-114105881-A Platelet aggregation inhibitor and preparation method and application thereof 沈阳海诺威医药科技有限公司 2022-03-01 CN disclosed
CN-102766099-B There is compound and salt, preparation method and the purposes of xanthine oxidase inhibitory activity SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2015-09-23 CN disclosed
CN-102766099-A Compound with xanthine oxidase inhibitory activity as well as salt, preparation methods and application thereof UNIV SHENYANG PHARMACEUTICAL 2012-11-07 CN disclosed
WO-2010127212-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
US-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE SARMA PAKALA KUMARA SAVITHRU 2010-11-04 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-11713300-B2 Platelet aggregation inhibitor, preparation and uses thereof TFPI, F12, TFPI2 FDPS 1870/4885ALDH1A1 1546/4885SMN1; SMN2 2498/4885
US-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE ACACA, ACACB, PC FDPS 116/4885ALDH1A1 276/4885SMN1; SMN2 4788/4885

“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.