SCHEMBL4735849

SCHEMBL4735849

O=C(O)c1cc(-c2cc(F)cc(F)c2)cc2c1OCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTNNB1 P35222 2/20 0.39
WNT3A P56704 1/20 0.39
PARP1 P09874 1/20 0.39
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PLK1 P53350 1/20 0.35
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
ALPL P05186 1/20 0.34

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
SCHEMBL4738525 0.91 HCAR1 (0.39) KDM4ESMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL4737775 0.87 CTNNB1 (0.49) KDM4ESMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL13315481 0.87 PARP1 (0.46) KDM4ESMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL14161482 0.86 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL4640382 0.86 PLK1 (0.50) KDM4ESMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL4738550 0.82 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL4737572 0.82 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL4738182 0.81 ALDH1A1 (0.46) KDM4ESMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL4737367 0.81 ACMSD (0.47) KDM4ESMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL13315470 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A

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 KDM4E 2247/4885SMN1; SMN2 4132/4885ALDH1A1 3513/4885

“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.