SCHEMBL4568491

SCHEMBL4568491

CCOc1ccc2c(Cc3cccc(C(=O)OC)n3)c(C(C)(C)C)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
PARP1 P09874 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
GRM5 P41594 1/20 0.37
TTK P33981 2/20 0.36
MAPK8 P45983 2/20 0.36
MGAM O43451 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL15998686 0.90 MRGPRX4 (0.40) MRGPRX4HSD17B10ALDH1A1RAB9AMGAM
SCHEMBL4568119 0.87 PARP1 (0.42) PARP1MRGPRX4RAB9AGAAGABRP
SCHEMBL4568199 0.86 ALDH1A1 (0.45) PRMT5WDR77HSD17B10MEN1ALDH1A1
SCHEMBL4568099 0.86 MAPT (0.43) PRMT5WDR77PARP1MRGPRX4HSD17B10
SCHEMBL4568484 0.86 KMT2A (0.42) PRMT5WDR77PARP1MRGPRX4HSD17B10
SCHEMBL4568117 0.85 MRGPRX4 (0.49) PARP1MRGPRX4RAB9A
SCHEMBL4568097 0.85 TP53 (0.41) HSD17B10ALDH1A1RAB9ATTKMGAM
SCHEMBL4568482 0.83 PARP1 (0.46) PARP1MRGPRX4HSD17B10ALDH1A1RAB9A
SCHEMBL4568518 0.83 CYP19A1 (0.42) HSD17B10MEN1ALDH1A1KMT2AKDM4E
SCHEMBL4568213 0.82 GPR17 (0.46) MRGPRX4MEN1KMT2AGAAKDM4E

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 PRMT5 2305/4885WDR77 2387/4885PARP1 2429/4885

“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.