SCHEMBL21427488

SCHEMBL21427488

COC(=O)C(=O)c1cc(C)c(C)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
MAPT P10636 3/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.32
XDH P47989 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL18432612 0.80 KMT2A (0.46) LCKFYNMAPTHPGDALDH1A1
SCHEMBL3327663 0.77 ATM (0.37) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL29280622 0.74 NPC1 (0.49) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL22916677 0.74 MAPT (0.41) MAPTALDH1A1NPC1RAB9AHSD17B10
SCHEMBL29280613 0.73 CES2 (0.44) LCKFYNMAPTALDH1A1NPC1
SCHEMBL29280610 0.73 CES2 (0.44) ALDH1A1NPC1RAB9ACES2CES1
SCHEMBL3958112 0.73 LCK (0.55) LCKFYNHPGDALDH1A1HSD17B10
SCHEMBL18015341 0.73 SMN1; SMN2 (0.43) LCKFYNNPC1RAB9AHSD17B10
SCHEMBL8214376 0.71 RAB9A (0.46) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL18420521 0.71 NOTUM (0.45) MAPTHPGDALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778551-A1 ALKYNE COMPOUND AND ARTHROPOD PEST CONTROL COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2021-02-17 EP disclosed
US-20210022338-A1 ALKYNE COMPOUND AND ARTHROPOD PEST CONTROL COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-01-28 US disclosed
WO-2019189287-A1 ALKYNE COMPOUND AND ARTHROPOD PEST CONTROL COMPOSITION CONTAINING SAME 住友化学株式会社 2019-10-03 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 (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-20210022338-A1 ALKYNE COMPOUND AND ARTHROPOD PEST CONTROL COMPOSITION CONTAINING SAME C5, C9, C3AR1 LCK 4227/4885FYN 3570/4885MAPT 4184/4885

“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.