SCHEMBL10105924

SCHEMBL10105924

CCC(C)(C)c1ccc(OP)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MAPT P10636 1/20 0.58
HRH3 Q9Y5N1 16/20 0.46
MAOB P27338 11/20 0.46
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL128091 0.82 NPC1 (0.81) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL8764585 0.82 NPC1 (0.62) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL779443 0.81 NPC1 (0.58) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL3436081 0.80 NPC1 (0.60) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL27856300 0.78 NPC1 (0.63) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL825336 0.78 NPC1 (0.58) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL805161 0.78 NQO1 (0.61) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL24785659 0.78 NPC1 (0.53) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL11964382 0.77 NPC1 (0.56) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL14706810 0.77 NPC1 (0.56) NPC1RAB9AMAPTHRH3MAOB

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-8105668-B2 Crystalline form of 2-(4,6-bis-biphenyl-4-yl-1,3,5-triazin-2-yl)-5-(2-ethyl-(n)-hexyloxy)phenol BASF SE (DE) 2012-01-31 US disclosed
US-20110027509-A1 CRYSTALLINE FORM OF 2-(4,6-BIS-BIPHENYL-4-YL-1,3,5-TRIAZIN-2-YL)-5-(2-ETHYL-(N)-HEXYLOXY)PHENOL BASF SE (US) 2011-02-03 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-20110027509-A1 CRYSTALLINE FORM OF 2-(4,6-BIS-BIPHENYL-4-YL-1,3,5-TRIAZIN-2-YL)-5-(2-ETHYL-(N)-HEXYLOXY)PHENOL CRYZ, H1-4, H1-2 NPC1 3058/4885RAB9A 3490/4885MAPT 364/4885

“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.