SCHEMBL1757967

SCHEMBL1757967

COC(=O)Cn1c(C)c(-c2ccc(Cl)nn2)c2cc(C)ccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
HSD17B10 Q99714 2/20 0.48
PTGDR2 Q9Y5Y4 16/20 0.48
PTGS1 P23219 2/20 0.45
CYP2C9 P11712 2/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
LMNA P02545 1/20 0.41
HK1 P19367 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
AKR1B1 P15121 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1758023 0.91 PTGDR2 (0.49) ALDH1A1MAPTHSD17B10PTGDR2PTGS1
SCHEMBL1757520 0.90 ALDH1A1 (0.52) ALDH1A1MAPTHSD17B10PTGDR2LMNA
SCHEMBL1757847 0.88 ALDH1A1 (0.50) ALDH1A1MAPTHSD17B10PTGDR2PTGS1
SCHEMBL1757691 0.87 PTGDR2 (0.47) ALDH1A1HSD17B10PTGDR2LMNAHPGD
SCHEMBL1757624 0.82 PTGDR2 (0.51) ALDH1A1MAPTHSD17B10PTGDR2PTGS1
SCHEMBL1757393 0.81 PTGDR2 (0.51) ALDH1A1MAPTHSD17B10PTGDR2LMNA
SCHEMBL2206663 0.80 PTGDR2 (0.47) PTGDR2PTGS1
SCHEMBL1757818 0.80 PTGDR2 (0.63) ALDH1A1MAPTPTGDR2CYP2C9CYP2C19
SCHEMBL1757905 0.78 ALDH1A1 (0.53) ALDH1A1MAPTHSD17B10PTGDR2CYP2C9
SCHEMBL1757923 0.76 PTGDR2 (0.82) PTGDR2

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 ALDH1A1 1069/4885MAPT 4275/4885HSD17B10 1166/4885

“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.