SCHEMBL3569716

SCHEMBL3569716

CCOC(=O)Cc1c(C)c(Sc2ccc(OC)cc2)n2cc(F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.45
PTGS2 P35354 2/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
PKM P14618 1/20 0.36
KLK7 P49862 1/20 0.35
PTGDR Q13258 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1B1 P15121 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL3304453 0.89 PTGDR2 (0.46) PTGDR2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3570130 0.89 PTGDR2 (0.56) PTGDR2PTGS2ALDH1A1CYP1A2CYP3A4
SCHEMBL3564308 0.84 PTGS2 (0.40) PTGDR2PTGS2ALDH1A1GAAPKM
SCHEMBL2774269 0.84 PTGDR2 (0.51) PTGDR2PTGS2ALDH1A1GAACYP1A2
SCHEMBL2771246 0.84 PTGDR2 (0.46) PTGDR2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL3302540 0.84 PTGDR2 (0.42) PTGDR2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL3302833 0.83 PTGDR2 (0.41) PTGDR2ALDH1A1GAACYP1A2CYP2C9
SCHEMBL3302504 0.82 PTGDR2 (0.41) PTGDR2GAACYP1A2CYP3A4CYP2C9
SCHEMBL3303652 0.81 PTGDR2 (0.40) PTGDR2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL3302617 0.81 PTGDR2 (0.40) PTGDR2CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 US disclosed
EP-2094266-A1 CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2009-09-02 EP disclosed
WO-2008074966-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-06-26 WO 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-20100010034-A1 CRTH2 ANTAGONISTS HRH2, MDH2, HRH1 PTGDR2 167/4885PTGS2 426/4885ALDH1A1 831/4885

“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.