SCHEMBL4738701

SCHEMBL4738701

CCN(CC)C(=O)c1ccc(-c2cc3c(c(C(=O)O)c2)OCCO3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 1/20 0.51
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
OPRD1 P41143 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4740763 0.87 HPGD (0.48) HPGDALDH1A1MAPTGABRA1GABRB2
SCHEMBL4736163 0.84 NPC1 (0.46) HPGDALDH1A1GABRA1GABRB2MEN1
SCHEMBL4735845 0.82 KDM4E (0.46) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL4735326 0.80 TSHR (0.49) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL4737031 0.79 SMN1; SMN2 (0.50) HPGDALDH1A1MAPTHTTNPC1
SCHEMBL4737367 0.79 ACMSD (0.47) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4737360 0.79 PLK1 (0.52) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL4785991 0.78 KDM4E (0.45) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL4738334 0.77 PDCD1 (0.45) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4737512 0.77 TP53 (0.44) HPGDALDH1A1MAPTMEN1KMT2A

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 HPGD 2641/4885ALDH1A1 3513/4885MAPT 4176/4885

“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.