SCHEMBL23468024

SCHEMBL23468024

CC(C)c1ccc(OCCCO)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.39
OXTR P30559 1/20 0.35
RAB9A P51151 2/20 0.35
FFAR1 O14842 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LOX P28300 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL20216138 0.91 PIK3CD (0.40) ACACBOXTRRAB9AFFAR1SMN1; SMN2
SCHEMBL10141615 0.84 ACACB (0.42) ACACBOXTRRAB9ASMN1; SMN2NPC1
SCHEMBL19398567 0.84 APP (0.40) ACACBOXTRRAB9AFFAR1SMN1; SMN2
SCHEMBL10141613 0.82 ACACB (0.49) ACACBOXTRFFAR1
SCHEMBL16996967 0.81 GABRP (0.44) ACACBOXTRSMN1; SMN2
SCHEMBL11994451 0.81 ACACB (0.42) ACACBOXTRFFAR1PIK3CDPIK3CA
SCHEMBL13428652 0.80 HTR1B (0.42) ACACBSMN1; SMN2ALDH1A1LMNA
SCHEMBL14269839 0.80 TLR9 (0.43) SMN1; SMN2ALDH1A1LMNAPIK3CDPIK3CB
SCHEMBL10175172 0.79 PTGDR2 (0.39) ACACB
SCHEMBL10141610 0.78 MAPT (0.49) ACACBOXTRFFAR1MAPTPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-09-30 US disclosed
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-06-08 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-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 ACACB 211/4885OXTR 4885/4885RAB9A 4274/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 ACACB 211/4885OXTR 4885/4885RAB9A 4274/4885

“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.