SCHEMBL15375170

SCHEMBL15375170

CCCCOCC(N)(COCCCC)COCCCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
CES1 P23141 1/20 0.42
CYP3A4 P08684 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
CES2 O00748 2/20 0.33
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL13165938 0.90 CES1 (0.53) TSHRCES1CA1CA2HTT
SCHEMBL28242234 0.86 TSHR (0.38) TSHRADRB2ADRB1ADRB3CES1
SCHEMBL21428606 0.86 TSHR (0.48) TSHRADRB2ADRB1ADRB3CES1
SCHEMBL12759222 0.83 HSD17B10 (0.35) CES1CA1CA2
SCHEMBL16774869 0.82 TSHR (0.42) TSHRADRB2ADRB1ADRB3CES1
SCHEMBL21253042 0.80 CES1 (0.48) TSHRADRB2ADRB1ADRB3CES1
SCHEMBL12759058 0.79 HSD17B10 (0.32) HTTMEN1THRBKMT2AMAPT
SCHEMBL12759064 0.78 TSHR (0.52) TSHRCES1HTTCES2
SCHEMBL4784637 0.78 CES1 (0.52) TSHRCES1HTTMEN1THRB
SCHEMBL278799 0.78 TSHR (0.48) TSHRADRB2ADRB1ADRB3CES1

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-8901351-B2 Precursor of polymerizable compound FUJIFILM CORPORATION (JP) 2014-12-02 US disclosed
US-20130296606-A1 PRECURSOR OF POLYMERIZABLE COMPOUND FUJIFILM CORPORATION (JP) 2013-11-07 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-20130296606-A1 PRECURSOR OF POLYMERIZABLE COMPOUND NRAS, KRAS, KSR1 TSHR 1156/4885ADRB2 3803/4885ADRB1 3109/4885

“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.