SCHEMBL805863

SCHEMBL805863

CC1(C)OCC(c2cccc(-c3ccc(O)cc3)n2)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HSD11B1 P28845 2/20 0.38
AR P10275 1/20 0.36
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
TGFBR1 P36897 8/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MAPK14 Q16539 1/20 0.34
FPR2 P25090 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
NTSR1 P30989 1/20 0.33
RAB9A P51151 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 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
SCHEMBL16129978 1.00 MAPT (0.53) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL805860 0.77
SCHEMBL15383829 0.77 HCRTR2 (0.32)
SCHEMBL17486013 0.75 SCN9A (0.40) RARARARBTGFBR1KMT2A
SCHEMBL7254156 0.74 ESR2 (0.41) MAPTALDH1A1RAB9AESR1ESR2
SCHEMBL17486003 0.73 SCN9A (0.54)
SCHEMBL4943174 0.73 MAPT (1.00) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL5950610 0.71 MAPT (0.95) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL22272452 0.70 KMT2A (0.37) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL19286961 0.70 FPR2 (0.39) MAPTFPR2MEN1KMT2ANTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616441-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2019-08-07 EP disclosed
US-9611222-B2 Pyridine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2017-04-04 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 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 (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-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF TRPV1, CACNA1A, KCNA1 MAPT 3114/4885ALDH1A1 172/4885POLB 4705/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 MAPT 3114/4885ALDH1A1 172/4885POLB 4705/4885

“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.