SCHEMBL1757770

SCHEMBL1757770

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL1757634 0.90 KMT2A (0.45) KMT2AKDM4EALDH1A1HSD17B10TDP1
SCHEMBL1757829 0.87 PTGDR2 (0.52) ALDH1A1HSD17B10PTGDR2
SCHEMBL1757944 0.77 PTGDR2 (0.56) ALDH1A1HSD17B10PTGDR2
SCHEMBL1758033 0.74 KDM4E (0.46) KMT2AKDM4EALDH1A1HSD17B10TDP1
SCHEMBL11606942 0.73 KDM4E (0.55) KMT2AKDM4EALDH1A1HSD17B10TDP1
SCHEMBL1757545 0.72 KMT2A (0.47) KMT2AKDM4EALDH1A1HSD17B10TDP1
SCHEMBL11232387 0.70 PTGDR2 (0.58) KMT2AKDM4EALDH1A1HSD17B10TDP1
SCHEMBL11605995 0.69 KDM4E (0.59) KMT2AKDM4EALDH1A1HSD17B10TDP1
SCHEMBL1757727 0.69 PTGDR2 (0.81) PTGDR2
SCHEMBL1758092 0.69 PTGDR2 (0.49) KMT2AKDM4ETDP1MEN1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.