SCHEMBL4640440

SCHEMBL4640440

COC(=O)c1cc(-c2cc(F)c(F)c(OC)c2)cc2c1OCC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
ERN1 O75460 2/20 0.37
PLK1 P53350 1/20 0.35
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP2A6 P11509 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 2/20 0.33
CREBBP Q92793 1/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
MAP2K1 Q02750 1/20 0.32
ANPEP P15144 1/20 0.32
KDM1A O60341 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
DHODH Q02127 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
SCHEMBL14099345 0.89 KDM4E (0.42) PARP1ERN1PLK1KDM4EALDH1A1
SCHEMBL4640425 0.89 PARP1 (0.42) PARP1ERN1PLK1KDM4EALDH1A1
SCHEMBL3935043 0.78 MAPK1 (0.42) ERN1KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4640372 0.77 JAK2 (0.46) PARP1ERN1KDM4EALDH1A1HSD17B10
SCHEMBL28759943 0.74 PARP1 (0.48) PARP1KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29669623 0.74 PARP1 (0.48) PARP1KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4642112 0.74 KDM4E (0.46) PARP1ERN1KDM4EALDH1A1HSD17B10
SCHEMBL4640351 0.73 ALDH1A1 (0.49) ERN1KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL6433214 0.73 PARP1 (0.44) PARP1KDM4EALDH1A1HSD17B10CYP2A6
SCHEMBL12284064 0.72 PARP1 (0.48) PARP1KDM4EALDH1A1HSD17B10SMN1; SMN2

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 3 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 disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP 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 1061/4885ERN1 4758/4885PLK1 1294/4885

“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.