SCHEMBL1758032

SCHEMBL1758032

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
PTGDR2 Q9Y5Y4 4/20 0.51
DYRK1A Q13627 1/20 0.47
F2RL3 Q96RI0 5/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
LMNA P02545 1/20 0.41
HK1 P19367 1/20 0.41
HKDC1 Q2TB90 1/20 0.41

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
SCHEMBL1757823 0.91 PTGDR2 (0.52) MAPTPTGDR2F2RL3CYP1A2CYP3A4
SCHEMBL1758338 0.89 PTGDR2 (0.50) MAPTPTGDR2F2RL3CYP1A2CYP3A4
SCHEMBL1757545 0.87 KMT2A (0.47) MAPTPTGDR2F2RL3ALDH1A1HSD17B10
SCHEMBL1757699 0.81 PTGDR2 (0.60) MAPTPTGDR2F2RL3CYP1A2CYP3A4
SCHEMBL1757984 0.80 PTGDR2 (0.55) MAPTPTGDR2DYRK1AF2RL3CYP1A2
SCHEMBL1758041 0.79 PTGDR2 (0.49) PTGDR2F2RL3CYP1A2CYP3A4CYP2D6
SCHEMBL1757420 0.79 PTGDR2 (0.51) MAPTPTGDR2DYRK1AALDH1A1HSD17B10
SCHEMBL1758015 0.77 KDM4E (0.48) PTGDR2F2RL3CYP1A2CYP3A4CYP2D6
SCHEMBL1757622 0.75 MAPT (0.58) MAPTDYRK1AALDH1A1HSD17B10MEN1
SCHEMBL1757944 0.75 PTGDR2 (0.56) MAPTPTGDR2ALDH1A1HSD17B10LMNA

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 MAPT 4275/4885PTGDR2 13/4885DYRK1A 2316/4885

“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.