SCHEMBL4738334

SCHEMBL4738334

O=C(O)c1cc(-c2ccc(CO)cc2)cc2c1OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 4/20 0.45
CD274 Q9NZQ7 4/20 0.45
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ACMSD Q8TDX5 1/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
PRKAB2 O43741 2/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA2 P54646 2/20 0.38
PRKAA1 Q13131 2/20 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
SCHEMBL4737367 0.85 ACMSD (0.47) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL4736167 0.85 ACMSD (0.56) PDCD1CD274ACMSDIKBKBCHUK
SCHEMBL4737366 0.84 PDCD1 (0.40) PDCD1CD274KDM4EALDH1A1TP53
SCHEMBL4785991 0.84 KDM4E (0.45) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL4737512 0.83 TP53 (0.44) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL4737031 0.83 SMN1; SMN2 (0.50) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL4737269 0.82 MTNR1A (0.47) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL4735326 0.81 TSHR (0.49) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL4735845 0.81 KDM4E (0.46) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL4738529 0.80 ROCK2 (0.43) KDM4EALDH1A1TP53SMN1; SMN2NPC1

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 PDCD1 4721/4885CD274 4506/4885KDM4E 2247/4885

“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.