SCHEMBL21155148

SCHEMBL21155148

CCCCCCCC(C)(CCCCCC)NCNC(C)(CCCCCC)CCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
EPHX1 P07099 1/20 0.40
GGPS1 O95749 6/20 0.37
FDPS P14324 9/20 0.35
SMPD1 P17405 2/20 0.34
CES2 O00748 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34

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
SCHEMBL22414336 1.00 TSHR (0.40) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL5198960 0.85 TSHR (0.40) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL22448942 0.85 TSHR (0.40) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL20643823 0.83 EPHX1 (0.44) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL19352948 0.83 EPHX1 (0.39) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL24045162 0.83 EPHX1 (0.39) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL18525926 0.83 EPHX1 (0.39) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL24927622 0.82 EPHX1 (0.50) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL23220284 0.81 FDPS (0.38) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL21790405 0.81 EPHX1 (0.42) TSHRTHRBEPHX1GGPS1FDPS

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-10688481-B2 Ruthenium complexes useful for catalyzing metathesis reactions XIMO AG (DE) 2020-06-23 US disclosed
US-20190210012-A1 RUTHENIUM COMPLEXES USEFUL FOR CATALYZING METATHESIS REACTIONS VERBIO SE (DE) 2019-07-11 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 (2 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-10688481-B2 Ruthenium complexes useful for catalyzing metathesis reactions H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3, RFC1 TSHR 1450/4885THRB 2541/4885EPHX1 4126/4885
US-20190210012-A1 RUTHENIUM COMPLEXES USEFUL FOR CATALYZING METATHESIS REACTIONS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3, RFC1 TSHR 1450/4885THRB 2541/4885EPHX1 4126/4885

“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.