SCHEMBL4568447

SCHEMBL4568447

CCC(CC)c1[nH]c2cc(OC)ccc2c1Cc1cccc(C(=O)OC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 3/20 0.39
PARP1 P09874 1/20 0.39
GPR17 Q13304 1/20 0.39
PTGS2 P35354 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
FPR2 P25090 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4568459 0.91 KDM4E (0.40) ALDH1A1KDM4EMAPTALOX15HSD17B10
SCHEMBL4568567 0.91 GPR17 (0.43) PRMT5WDR77GPR17PTGS2LMNA
SCHEMBL4568442 0.90 MTNR1A (0.45) ALDH1A1KDM4EMAPTALOX15HSD17B10
SCHEMBL4568440 0.83 KDM4E (0.41) ALDH1A1KDM4EMAPTALOX15HSD17B10
SCHEMBL4568553 0.83 GPR17 (0.43) GPR17PTGS2DYRK1AMRGPRX4
SCHEMBL4568484 0.82 KMT2A (0.42) ALDH1A1KDM4EMAPTALOX15HSD17B10
SCHEMBL3706006 0.82 MTNR1A (0.48) ALDH1A1KDM4EHSD17B10HPGDMTNR1A
SCHEMBL4568192 0.82 KDM4E (0.42) ALDH1A1KDM4EMAPTALOX15HSD17B10
SCHEMBL4568449 0.82 MTNR1A (0.43) ALDH1A1KDM4EMAPTALOX15HSD17B10
SCHEMBL4568558 0.81 GPR17 (0.45) KDM4EGAAKMT2AGPR17PTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R ALDH1A1 422/4885KDM4E 3521/4885MAPT 3199/4885

“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.