SCHEMBL16744162

SCHEMBL16744162

C=CCCCOCCOCCOCC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 4/20 0.48
THRB P10828 2/20 0.34
LPAR3 Q9UBY5 2/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL3119793 0.95
SCHEMBL17079532 0.93 TSHR (0.50) TSHRALDH1A1THRBLPAR3ADORA1
SCHEMBL3122068 0.90
SCHEMBL16581580 0.89 TSHR (0.43) TSHRALDH1A1LPAR3ADORA1LMNA
SCHEMBL18092837 0.89 TSHR (0.43) TSHRALDH1A1LPAR3ADORA1LMNA
SCHEMBL3114132 0.88 TSHR (0.54) TSHRALDH1A1LPAR3ADORA1LMNA
SCHEMBL3124662 0.88 TSHR (0.54) TSHRALDH1A1LPAR3ADORA1LMNA
SCHEMBL3114287 0.88 TSHR (0.54) TSHRALDH1A1LPAR3ADORA1LMNA
SCHEMBL12787211 0.88 TSHR (0.52) TSHRALDH1A1THRBADORA1LMNA
SCHEMBL2528383 0.88 TSHR (0.54) TSHRALDH1A1LPAR3ADORA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148524-A1 AMINO ACID ANALOGUES AND METHODS FOR THEIR SYNTHESIS UNIV MONASH (AU) 2015-05-28 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-20150148524-A1 AMINO ACID ANALOGUES AND METHODS FOR THEIR SYNTHESIS DAO, BCAT2, BCAT1 TSHR 2676/4885ALDH1A1 3723/4885THRB 975/4885

“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.