SCHEMBL4568432

SCHEMBL4568432

CCc1cccc(-c2[nH]c3cc(OC)ccc3c2Cc2cccc(C(=O)OC)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK2 O60674 1/20 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
SCHEMBL4568436 0.94 MTNR1A (0.39) PLA2G2AKDM4EALDH1A1HSD17B10MAPT
SCHEMBL4568540 0.93 GPR17 (0.41) KDM4EALDH1A1HSD17B10HPGDMTNR1A
SCHEMBL4568192 0.93 KDM4E (0.42) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL3706006 0.91 MTNR1A (0.48) PLA2G2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4568175 0.90 PTGS2 (0.42) PLA2G2AKDM4EALDH1A1HSD17B10MAPT
SCHEMBL4568186 0.89 MAPK13 (0.51) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL4568426 0.87 KDM4E (0.45) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL4568421 0.87 KDM4E (0.46) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL4568176 0.87 MDM4 (0.41) PLA2G2AKDM4EALDH1A1HSD17B10MAPT
SCHEMBL4568096 0.87 MDM4 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 PLA2G2A 1399/4885KDM4E 3521/4885ALDH1A1 422/4885

“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.