SCHEMBL12872196

SCHEMBL12872196

O=C(Nc1cccc(CC2(C(=O)O)CC2)c1)C(c1ccc(CN2Cc3ccccc3C2=O)cc1)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
HTR1E P28566 3/20 0.44
S1PR3 Q99500 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
PTGES O14684 1/20 0.43
HTT P42858 1/20 0.42
ACHE P22303 1/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 1/20 0.40
THRB P10828 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPY1R P25929 1/20 0.38
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
GFER P55789 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
ACKR3 P25106 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
SCHEMBL3704665 1.00 MAPT (0.44) MAPTHTR1ES1PR3MEN1KMT2A
SCHEMBL7602940 0.95 MAPT (0.42) MAPTHTR1ES1PR3MEN1KMT2A
SCHEMBL3690988 0.90 PTGES (0.42) MAPTHTR1ES1PR3MEN1KMT2A
SCHEMBL1178034 0.90 PTGES (0.38) MAPTHTR1ES1PR3MEN1KMT2A
SCHEMBL1178149 0.90 PTGES (0.38) MAPTHTR1ES1PR3MEN1KMT2A
SCHEMBL3705045 0.89 PTGES (0.42) MAPTHTR1ES1PR3MEN1KMT2A
SCHEMBL3702981 0.89 PTGES (0.42) MAPTHTR1ES1PR3MEN1KMT2A
SCHEMBL3694312 0.89 PTGES (0.42) MAPTHTR1ES1PR3MEN1KMT2A
Bicarbonate SCHEMBL3697242 0.88 MAPT (0.46) MAPTHTR1ES1PR3MEN1KMT2A
Bicarbonate SCHEMBL3704666 0.88 MAPT (0.46) MAPTHTR1ES1PR3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 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 (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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 MAPT 4791/4885HTR1E 4408/4885S1PR3 3654/4885

“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.