SCHEMBL1758338

SCHEMBL1758338

COC(=O)Cn1c(C)c(-c2ccc(OC)nc2)c2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.50
MAPT P10636 2/20 0.47
F2RL3 Q96RI0 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PTGS1 P23219 1/20 0.43
KRAS P01116 1/20 0.42
TACR1 P25103 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HK1 P19367 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
HSD17B10 Q99714 1/20 0.41
P2RX3 P56373 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
SCHEMBL1758041 0.90 PTGDR2 (0.49) PTGDR2F2RL3CYP1A2CYP3A4CYP2D6
SCHEMBL1757823 0.90 PTGDR2 (0.52) PTGDR2MAPTF2RL3CYP1A2CYP3A4
SCHEMBL1758032 0.89 MAPT (0.52) PTGDR2MAPTF2RL3CYP1A2CYP3A4
SCHEMBL1757545 0.86 KMT2A (0.47) PTGDR2MAPTF2RL3ALDH1A1LMNA
SCHEMBL1757699 0.80 PTGDR2 (0.60) PTGDR2MAPTF2RL3CYP1A2CYP3A4
SCHEMBL1757984 0.80 PTGDR2 (0.55) PTGDR2MAPTF2RL3CYP1A2CYP3A4
SCHEMBL1757971 0.78 PTGDR2 (0.50) PTGDR2MAPTKRASTACR1ALDH1A1
SCHEMBL1757886 0.78 PTGDR2 (0.80) PTGDR2MAPTCYP2C9
SCHEMBL1758015 0.76 KDM4E (0.48) PTGDR2F2RL3CYP1A2CYP3A4CYP2D6
SCHEMBL318734 0.76 PTGDR2 (0.72) PTGDR2MAPTCYP2C9PTGS1KRAS

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 PTGDR2 13/4885MAPT 4275/4885F2RL3 429/4885

“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.