SCHEMBL4739488

SCHEMBL4739488

O=C(O)c1cc(-c2cccc(C(F)(F)F)c2)cc2c1OCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
MPL P40238 1/20 0.42
KIF11 P52732 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
PARP1 P09874 3/20 0.42
ASIC3 Q9UHC3 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
KMO O15229 2/20 0.41
TRPM2 O94759 1/20 0.40
DHODH Q02127 1/20 0.40
ACLY P53396 1/20 0.40
RORC P51449 1/20 0.40
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39

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
SCHEMBL4733773 0.86 MAPT (0.45) MAPTNPSR1RXFP1FABP3FABP4
SCHEMBL4785932 0.84 ACMSD (0.49) FABP3FABP4PARP1KMODHODH
SCHEMBL4737359 0.84 PARP1 (0.49) FABP3FABP4PARP10PARP11PARP1
SCHEMBL4739567 0.81 DCLRE1B (0.48) FABP3FABP4PARP1RXRARXRB
SCHEMBL4736790 0.81 MCL1 (0.52) RXFP1FABP3FABP4PARP1
SCHEMBL4738907 0.80 PARP1 (0.50) FABP4PARP1KMODHODH
SCHEMBL4647082 0.80 MAPT (0.44) MAPTNPSR1RXFP1KIF11PARP10
SCHEMBL4641393 0.79 DHODH (0.47) PARP1DHODH
SCHEMBL4735858 0.79 ACMSD (0.54) FABP4PARP1DHODH
SCHEMBL4738021 0.79 PARP10 (0.44) FABP4PARP10PARP11PARP1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 MAPT 4176/4885NPSR1 10/4885RXFP1 31/4885

“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.