SCHEMBL1369812

SCHEMBL1369812

C#Cc1cc(C#N)ccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.47
HSD17B10 Q99714 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
ABCB1 P08183 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 2/20 0.38
AAK1 Q2M2I8 2/20 0.38
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
ACLY P53396 1/20 0.36

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
SCHEMBL12145881 0.83 PTGDR2 (0.47) PTGDR2HSD17B10NPC1RAB9ATP53
SCHEMBL12145823 0.82 AR (0.45) PTGDR2HSD17B10NPC1RAB9AABCB1
SCHEMBL1371045 0.82 PTGDR2 (0.47) PTGDR2ALDH1A1ACLY
SCHEMBL3713007 0.81 PTGDR2 (0.67) PTGDR2
SCHEMBL12145894 0.81 PTGDR2 (0.55) PTGDR2HSD17B10ALDH1A1HPGDTSHR
SCHEMBL12145841 0.79 PTGDR2 (0.52) PTGDR2
SCHEMBL31068577 0.79 ALDH1A1 (0.46) PTGDR2HSD17B10NPC1RAB9ATP53
SCHEMBL29347077 0.79 ALDH1A1 (0.46) PTGDR2HSD17B10NPC1RAB9ATP53
SCHEMBL13665112 0.78 HSD17B10 (0.51) PTGDR2HSD17B10NPC1RAB9ATP53
SCHEMBL30188569 0.77 AAK1 (0.59) PTGDR2HSD17B10NPC1RAB9ATP53

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
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 PTGDR2 51/4885HSD17B10 158/4885NPC1 3799/4885

“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.