SCHEMBL13930958

SCHEMBL13930958

CCC(C)(CC)c1ccc(OCc2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 8/20 0.57
▸ MAOB P27338 1/20 0.56
▸ NPC1 O15118 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ FFAR1 O14842 2/20 0.49
▸ NR4A2 P43354 1/20 0.48
▸ RXRA P19793 1/20 0.48
▸ RXRB P28702 1/20 0.48
▸ IDO1 P14902 1/20 0.46
▸ AGXT P21549 1/20 0.46
▸ PLA2G4B P0C869 1/20 0.46

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
SCHEMBL12640835 0.86 CA1 (0.50) NPC1RAB9AALDH1A1MAPTIDO1
SCHEMBL13930956 0.85 MAOB (0.64) APPMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL13439792 0.84 APP (0.72) APPMAOBNPC1POLBRAB9A
SCHEMBL20000873 0.82 APP (0.80) APPMAOBNPC1POLBRAB9A
SCHEMBL18164596 0.79 MAOB (0.70) APPMAOBNPC1POLBRAB9A
SCHEMBL13952163 0.78 APP (0.69) APPMAOBNPC1POLBRAB9A
SCHEMBL13977985 0.78 APP (0.69) APPMAOBNPC1POLBRAB9A
SCHEMBL22275947 0.76 APP (0.82) APPMAOBNPC1POLBRAB9A
SCHEMBL13930782 0.76 NQO1 (0.61) SMN1; SMN2ALDH1A1MAPT
SCHEMBL20868521 0.75 ALDH1A1 (0.49) NPC1RAB9AALDH1A1MAPTIDO1

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-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 — — US disclosed
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 — — 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 (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-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 APP 2712/4885MAOB 4400/4885NPC1 3958/4885

“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.

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