SCHEMBL18394342

SCHEMBL18394342

CCCCCCC1(F)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.34
CETP P11597 3/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
CYP19A1 P11511 1/20 0.31
DNM1 Q05193 2/20 0.31
PTPN1 P18031 1/20 0.31
ACP1 P24666 1/20 0.31
CDC25B P30305 1/20 0.31
GAA P10253 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
SCHEMBL8775663 1.00 TSHR (0.36) TSHRTHRBSIRT2CETPCNR1
SCHEMBL29088150 1.00 TSHR (0.36) TSHRTHRBSIRT2CETPCNR1
SCHEMBL31415322 1.00 TSHR (0.36) TSHRTHRBSIRT2CETPCNR1
SCHEMBL8775093 0.91 CETP (0.32) CETP
SCHEMBL8652385 0.88 TSHR (0.42) TSHRTHRBSIRT2CYP19A1DNM1
SCHEMBL21033697 0.80
SCHEMBL15259314 0.78
SCHEMBL19074576 0.78
SCHEMBL25392317 0.76 TSHR (0.40) TSHRTHRBSIRT2CETPCNR1
SCHEMBL25392805 0.76 TSHR (0.40) TSHRTHRBSIRT2CETPCNR1

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-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 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-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC TSHR 3708/4885THRB 4426/4885SIRT2 606/4885

“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.