SCHEMBL12437009

SCHEMBL12437009

C=CC(=O)OCCCOc1ccc(C#Cc2ccc(N=C=S)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 5/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 1/20 0.41
FFAR1 O14842 1/20 0.38
HTT P42858 1/20 0.37
ACACB O00763 8/20 0.36
FURIN P09958 1/20 0.36
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
P2RY6 Q15077 1/20 0.33

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
SCHEMBL12436997 0.92 THRB (0.41) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL15852957 0.89 PRSS1 (0.44) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25500952 0.89 THRB (0.49) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14907529 0.88 THRB (0.59) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL18200235 0.88 THRB (0.59) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL18200264 0.88 THRB (0.48) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14373547 0.85 THRB (0.59) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL12348188 0.85 THRB (0.59) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL12604080 0.84 TSHR (0.59) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14373542 0.83 THRB (0.65) THRBTSHRHPGDALDH1A1CYP3A4

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
US-8455563-B2 Reactive mesogenic compounds and mixtures MERCK PATENT GMBH (DE) 2013-06-04 US disclosed
US-20110178200-A1 REACTIVE MESOGENIC COMPOUNDS AND MIXTURES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-21 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-20110178200-A1 REACTIVE MESOGENIC COMPOUNDS AND MIXTURES BLM, MITF, PARG THRB 4861/4885TSHR 4541/4885HPGD 3773/4885

“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.