SCHEMBL12436997

SCHEMBL12436997

C=CC(=O)OCCCOc1ccc2cc(C#Cc3ccc(N=C=S)cc3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
ACACB O00763 4/20 0.34
FFAR1 O14842 5/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
FURIN P09958 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL12437009 0.92 THRB (0.48) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL19789518 0.90 THRB (0.42) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL12437039 0.90 THRB (0.50) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL12017179 0.87 THRB (0.40) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL16133506 0.87 THRB (0.39) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL19821125 0.85 THRB (0.52) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14907431 0.84 THRB (0.45) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14907509 0.84 THRB (0.45) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL12437000 0.84 THRB (0.45) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14907503 0.83 THRB (0.46) 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 4 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-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
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.