SCHEMBL1367786

SCHEMBL1367786

C#Cc1nc(C)ccc1OCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.45
KDM4E B2RXH2 6/20 0.45
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.38

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
SCHEMBL16742593 0.82 KDM4E (0.51) PTGDR2KDM4EPKMHTTTDP1
SCHEMBL1368492 0.82 ALDH1A1 (0.40) KDM4EHTTTDP1GAAPOLB
SCHEMBL1369318 0.81 KDM4E (0.45) PTGDR2KDM4EPKMHTTTDP1
SCHEMBL3710075 0.76 PTGDR2 (0.49) PTGDR2KDM4EPKMHTTTDP1
SCHEMBL16742921 0.76 KDM4E (0.66) PTGDR2KDM4EPKMHTTTDP1
SCHEMBL5532109 0.76 S1PR4 (0.49) PTGDR2KDM4EPKMHTTTDP1
SCHEMBL14764063 0.76 L3MBTL1 (0.47) HTTTDP1SMN1; SMN2L3MBTL1TSHR
SCHEMBL3781153 0.75 KDM4E (0.53) PTGDR2KDM4EPKMHTTTDP1
SCHEMBL5569554 0.71 S1PR4 (0.44) PTGDR2KDM4EPKMHTTTDP1
SCHEMBL21211793 0.70 KDM4E (0.58) PTGDR2KDM4EPKMHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 EP disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 PTGDR2 51/4885KDM4E 1974/4885PKM 2423/4885

“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.