SCHEMBL1757634

SCHEMBL1757634

COC(=O)Cn1c(C)c(Cc2ccc(OC)nc2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NAMPT P43490 1/20 0.39
PLA2G2A P14555 1/20 0.39

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
SCHEMBL1757770 0.90 KMT2A (0.42) KMT2AKDM4EALDH1A1HSD17B10TDP1
SCHEMBL1757944 0.86 PTGDR2 (0.56) ALDH1A1HSD17B10PTGDR2LMNAMAPT
SCHEMBL1757545 0.81 KMT2A (0.47) KMT2AKDM4EALDH1A1HSD17B10TDP1
SCHEMBL1758033 0.77 KDM4E (0.46) KMT2AKDM4EALDH1A1HSD17B10TDP1
SCHEMBL1757829 0.77 PTGDR2 (0.52) ALDH1A1HSD17B10PTGDR2LMNAMAPT
SCHEMBL11606942 0.76 KDM4E (0.55) KMT2AKDM4EALDH1A1HSD17B10TDP1
SCHEMBL11232387 0.73 PTGDR2 (0.58) KMT2AKDM4EALDH1A1HSD17B10TDP1
SCHEMBL1757823 0.72 PTGDR2 (0.52) ALDH1A1HSD17B10PTGDR2LMNAMAPT
SCHEMBL11605995 0.72 KDM4E (0.59) KMT2AKDM4EALDH1A1HSD17B10TDP1
SCHEMBL1758032 0.72 MAPT (0.52) KMT2AKDM4EALDH1A1HSD17B10MEN1

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
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 KMT2A 3787/4885KDM4E 4693/4885ALDH1A1 1069/4885

“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.