SCHEMBL4733773

SCHEMBL4733773

O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)cc2c1OCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
PARP1 P09874 2/20 0.43
DHODH Q02127 1/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 1/20 0.42
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
P2RY14 Q15391 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 2/20 0.41
KIF11 P52732 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL4739488 0.86 MAPT (0.53) MAPTNPSR1RXFP1FABP3FABP4
SCHEMBL4733776 0.85 PARP1 (0.52) MAPTFABP3FABP4PARP1XDH
SCHEMBL4735319 0.83 XDH (0.48) FABP3FABP4PARP1DHODHXDH
SCHEMBL4734815 0.83 NPC1 (0.47) NPSR1DHODHRXRARXRBRXRG
SCHEMBL4733740 0.82 MCL1 (0.49) NPSR1FABP3FABP4PARP1DHODH
SCHEMBL4736983 0.82 XDH (0.44) FABP3FABP4PARP1DHODHRXRA
SCHEMBL4735090 0.80 XDH (0.43) MAPTFABP3FABP4PARP1RXRA
SCHEMBL4785932 0.80 ACMSD (0.49) FABP3FABP4PARP1DHODHXDH
SCHEMBL1510051 0.80 XDH (0.44) MAPTNPSR1RXFP1FABP3FABP4
SCHEMBL4740181 0.80 CRBN (0.41) MAPTFABP3FABP4PARP1XDH

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.