SCHEMBL805886

SCHEMBL805886

C=Cc1cccc(-c2ccc(O)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
ALDH1A1 P00352 1/20 0.64
POLB P06746 1/20 0.64
HPGD P15428 1/20 0.64
HSD17B10 Q99714 1/20 0.64
ESR1 P03372 4/20 0.45
ESR2 Q92731 3/20 0.45
ESRRB O95718 1/20 0.45
ESRRA P11474 1/20 0.45
AR P10275 1/20 0.44
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
NTSR1 P30989 1/20 0.42
BCHE P06276 1/20 0.40
APP P05067 1/20 0.39
RAB9A P51151 3/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
LTA4H P09960 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38

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
SCHEMBL17261489 0.82 MEN1 (0.60) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL805864 0.81 MAPT (0.64) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL28907909 0.80 CCR1 (0.40) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL4943174 0.80 MAPT (1.00) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL5950610 0.78 MAPT (0.95) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL30064333 0.78 CCR1 (0.39) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL23110570 0.77 ALDH1A1 (0.36) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL13556427 0.77 SCN9A (0.46)
SCHEMBL806013 0.76 RAB9A (0.47) MEN1KMT2ARAB9ALTA4HNPC1
SCHEMBL23093158 0.75 HDAC6 (0.43) POLBMEN1KMT2ARAB9ANPC1

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.