SCHEMBL1757545

SCHEMBL1757545

COC(=O)Cn1c(C)c(-c2ccc(OC)nc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
F2RL3 Q96RI0 2/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1758015 0.89 KDM4E (0.48) KMT2APTGDR2KDM4EALDH1A1TDP1
SCHEMBL1757823 0.88 PTGDR2 (0.52) PTGDR2ALDH1A1HSD17B10LMNAF2RL3
SCHEMBL1758032 0.87 MAPT (0.52) KMT2APTGDR2KDM4EALDH1A1HSD17B10
SCHEMBL1758338 0.86 PTGDR2 (0.50) PTGDR2ALDH1A1HSD17B10LMNAF2RL3
SCHEMBL1757634 0.81 KMT2A (0.45) KMT2APTGDR2KDM4EALDH1A1HSD17B10
SCHEMBL1757699 0.78 PTGDR2 (0.60) PTGDR2KDM4EALDH1A1HSD17B10LMNA
SCHEMBL1757984 0.78 PTGDR2 (0.55) KMT2APTGDR2ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL1758041 0.77 PTGDR2 (0.49) PTGDR2KDM4EALDH1A1F2RL3
SCHEMBL1757765 0.76 KDM4E (0.49) KMT2APTGDR2KDM4EALDH1A1HSD17B10
SCHEMBL1757995 0.76 PTGDR2 (0.78) KMT2APTGDR2KDM4EALDH1A1HSD17B10

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 3787/4885PTGDR2 13/4885KDM4E 4693/4885

“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.