SCHEMBL4740085

SCHEMBL4740085

COc1cc(F)cc(-c2cc3c(c(C(=O)O)c2)OCC3)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.50
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
RXRA P19793 1/20 0.38
DRD2 P14416 1/20 0.37
GRK6 P43250 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2A6 P11509 1/20 0.36
GYS1 P13807 1/20 0.35
BRD4 O60885 1/20 0.35
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35
FABP4 P15090 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
DHODH Q02127 3/20 0.33
PGR P06401 1/20 0.33
ERN1 O75460 1/20 0.32
RORC P51449 1/20 0.32
CSNK1E P49674 1/20 0.32

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
SCHEMBL4739429 0.85 SMN1; SMN2 (0.50) PARP1XDHSLC22A12RXRASMN1; SMN2
SCHEMBL4641393 0.82 DHODH (0.47) PARP1SMN1; SMN2AKR1C3AKR1C2DHODH
SCHEMBL4640425 0.81 PARP1 (0.42) PARP1XDHSLC22A12SMN1; SMN2CYP2A6
SCHEMBL4737639 0.81 PARP1 (0.48) PARP1XDHSLC22A12GYS1BRD4
SCHEMBL4648923 0.81 PARP1 (0.42) PARP1DRD2GRK6SMN1; SMN2CYP2A6
SCHEMBL4733776 0.80 PARP1 (0.52) PARP1XDHSLC22A12FABP4AKR1C2
SCHEMBL4640372 0.80 JAK2 (0.46) PARP1SMN1; SMN2ERN1
SCHEMBL4642112 0.80 KDM4E (0.46) PARP1XDHSLC22A12SMN1; SMN2CYP2A6
SCHEMBL4737359 0.80 PARP1 (0.49) PARP1XDHSLC22A12FABP4AKR1C2
SCHEMBL29089219 0.79 PARP1 (0.76) PARP1XDHSLC22A12SMN1; SMN2GYS1

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.