SCHEMBL4738875

SCHEMBL4738875

CCNC(=O)c1ccc(-c2cc3c(c(C(=O)O)c2)OCCO3)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 4/20 0.39
PHGDH O43175 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BRCA1 P38398 1/20 0.37
AKR1C2 P52895 4/20 0.37
AKR1C1 Q04828 3/20 0.37

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
SCHEMBL4640340 0.88 PLK1 (0.43) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL4736919 0.85 POLB (0.42) NPC1RAB9AALDH1A1KDM4EGAA
SCHEMBL4733746 0.85 NPC1 (0.39) NPC1RAB9AALDH1A1KDM4EGAA
SCHEMBL4736607 0.83 HPGD (0.48) NPC1RAB9APOLBHPGDSMN1; SMN2
SCHEMBL4736163 0.83 NPC1 (0.46) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL4736986 0.82 MKNK1 (0.43) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL4735867 0.81 CDK8 (0.43) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL4737978 0.81 PDK2 (0.40) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL4737918 0.78 RPA1 (0.45) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL4734000 0.77 TSHR (0.47) NPC1RAB9AALDH1A1POLBRECQL

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 NPC1 2801/4885RAB9A 2622/4885ALDH1A1 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.