SCHEMBL1014420

SCHEMBL1014420

COc1cc(CN2CCOCC2)ccc1C(C)=O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
HIF1A Q16665 1/20 0.51
EPAS1 Q99814 1/20 0.51
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
PDE4B Q07343 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL1013959 0.88 HTT (0.59) HTTALDH1A1KMT2ASMN1; SMN2HIF1A
SCHEMBL1014528 0.84 HTT (0.54) HTTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL1017258 0.82 HRH3 (0.51) ALDH1A1SMN1; SMN2HIF1AEPAS1NPC1
SCHEMBL15323477 0.82 L3MBTL1 (0.55) HTTALDH1A1KMT2ASMN1; SMN2HIF1A
SCHEMBL16884088 0.82 HTT (0.76) HTTALDH1A1KMT2ASMN1; SMN2HIF1A
SCHEMBL4145433 0.81 HTT (0.66) HTTALDH1A1SMN1; SMN2LMNAPDE4B
SCHEMBL12858537 0.80 ALDH1A1 (0.48) HTTALDH1A1SMN1; SMN2HIF1AEPAS1
SCHEMBL13634492 0.80 SMN1; SMN2 (0.50) HTTALDH1A1SMN1; SMN2HIF1AEPAS1
SCHEMBL13634176 0.78 NOS1 (0.50) HTTALDH1A1SMN1; SMN2HIF1AEPAS1
SCHEMBL6708339 0.78 NPC1 (0.57) HTTALDH1A1SMN1; SMN2HIF1AEPAS1

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-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
EP-2272835-A1 NOVEL FIVE-MEMBERED RING COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-12 EP 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-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND CCL11, CCR1, CCR10 HTT 4437/4885ALDH1A1 2564/4885KMT2A 4321/4885

“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.