SCHEMBL4735627

SCHEMBL4735627

Cc1cc(C)cc(-c2cc3c(c(C(=O)O)c2)OCC3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.44
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
FABP4 P15090 6/20 0.40
MAPT P10636 1/20 0.36
FTO Q9C0B1 1/20 0.35
TPMT P51580 1/20 0.35
MPL P40238 1/20 0.35
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 2/20 0.35
MCL1 Q07820 1/20 0.34
FABP3 P05413 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
FABP5 Q01469 1/20 0.34
PLA2G10 O15496 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 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
SCHEMBL4733740 0.88 MCL1 (0.49) PARP1XDHSLC22A12RXRARXRB
SCHEMBL7264853 0.87 PARP1 (0.49) PARP1XDHSLC22A12FABP4MAPT
SCHEMBL4735319 0.81 XDH (0.48) PARP1XDHSLC22A12FABP4MCL1
SCHEMBL4735090 0.80 XDH (0.43) PARP1XDHSLC22A12RXRARXRB
SCHEMBL4738182 0.80 ALDH1A1 (0.46) RXRARXRBMAPTFTOTPMT
SCHEMBL4785932 0.79 ACMSD (0.49) PARP1XDHSLC22A12FABP4AKR1C2
SCHEMBL4736983 0.79 XDH (0.44) PARP1XDHSLC22A12RXRARXRB
SCHEMBL4733776 0.79 PARP1 (0.52) PARP1XDHSLC22A12FABP4MAPT
SCHEMBL1510051 0.79 XDH (0.44) PARP1XDHSLC22A12FABP4MAPT
SCHEMBL4736790 0.79 MCL1 (0.52) PARP1XDHSLC22A12FABP4MCL1

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 PARP1 1061/4885XDH 2848/4885SLC22A12 2654/4885

“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.