SCHEMBL4568459

SCHEMBL4568459

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PARP1 P09874 1/20 0.38
GPR17 Q13304 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
PTGS2 P35354 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL4568447 0.91 ALDH1A1 (0.41) KDM4EALDH1A1ALOX15HSD17B10MAPT
SCHEMBL4568553 0.91 GPR17 (0.43) GPR17CHRNB2CHRNA7CHRNA4PTGS2
SCHEMBL4568442 0.91 MTNR1A (0.45) KDM4EALDH1A1ALOX15HSD17B10MAPT
SCHEMBL4568455 0.84 MRGPRX4 (0.40) KDM4EALDH1A1HSD17B10MAPTPARP1
SCHEMBL4568440 0.84 KDM4E (0.41) KDM4EALDH1A1ALOX15HSD17B10MAPT
SCHEMBL4568567 0.83 GPR17 (0.43) GPR17PTGS2PRMT5WDR77DYRK1A
SCHEMBL4568558 0.82 GPR17 (0.45) KDM4EGAAKMT2AGPR17MTNR1A
SCHEMBL4568484 0.81 KMT2A (0.42) KDM4EALDH1A1ALOX15HSD17B10MAPT
SCHEMBL4568192 0.81 KDM4E (0.42) KDM4EALDH1A1ALOX15HSD17B10MAPT
SCHEMBL3706006 0.81 MTNR1A (0.48) KDM4EALDH1A1HSD17B10HPGDMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 3521/4885ALDH1A1 422/4885ALOX15 232/4885

“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.