SCHEMBL4734837

SCHEMBL4734837

O=C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)cc2c1OCCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.55
AKR1C1 Q04828 1/20 0.55
AURKA O14965 1/20 0.49
TPX2 Q9ULW0 1/20 0.49
IGF2BP2 Q9Y6M1 1/20 0.42
DHODH Q02127 3/20 0.41
PTGER4 P35408 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARA Q07869 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL4784049 0.87 DHODH (0.48) AKR1C2AKR1C1IGF2BP2DHODHFFAR1
SCHEMBL4734815 0.83 NPC1 (0.47) DHODHKDM4ENPC1ALDH1A1TP53
SCHEMBL4738832 0.83 SMN1; SMN2 (0.48) AKR1C2KDM4ENPC1ALDH1A1TP53
SCHEMBL4737367 0.81 ACMSD (0.47) AKR1C2AKR1C1KDM4ENPC1ALDH1A1
SCHEMBL4785991 0.80 KDM4E (0.45) AKR1C2AKR1C1DHODHKDM4ENPC1
SCHEMBL4737512 0.79 TP53 (0.44) AKR1C2AKR1C1KDM4ENPC1ALDH1A1
SCHEMBL4737031 0.79 SMN1; SMN2 (0.50) AKR1C2AKR1C1KDM4ENPC1ALDH1A1
SCHEMBL4735085 0.78 AKR1C2 (0.52) AKR1C2AKR1C1DHODHKDM4ENPC1
SCHEMBL4735326 0.76 TSHR (0.49) DHODHKDM4ENPC1ALDH1A1TP53
SCHEMBL4735845 0.76 KDM4E (0.46) AKR1C2KDM4ENPC1ALDH1A1TP53

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 AKR1C2 610/4885AKR1C1 609/4885AURKA 1411/4885

“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.