SCHEMBL9745606

SCHEMBL9745606

C=C(CBr)C(=O)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ADRA1A P35348 1/20 0.35
PDE4D Q08499 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
XPO1 O14980 2/20 0.34
LMNA P02545 2/20 0.32
TRPA1 O75762 2/20 0.32
HCAR2 Q8TDS4 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL666917 0.79 TSHR (0.40) TSHRADRA1APDE4DGAASMN1; SMN2
SCHEMBL640114 0.79 TSHR (0.40) TSHRADRA1APDE4DGAASMN1; SMN2
SCHEMBL9745938 0.78 TSHR (0.36) TSHRADRA1APDE4DXPO1LMNA
SCHEMBL9746345 0.77 TSHR (0.39) TSHRADRA1APDE4DGAASMN1; SMN2
SCHEMBL9244632 0.77 TSHR (0.39) TSHRADRA1APDE4DGAASMN1; SMN2
SCHEMBL9745747 0.77 TSHR (0.39) TSHRADRA1APDE4DGAASMN1; SMN2
SCHEMBL1520934 0.77 TSHR (0.39) TSHRADRA1APDE4DGAASMN1; SMN2
SCHEMBL2065900 0.77 TSHR (0.39) TSHRADRA1APDE4DGAASMN1; SMN2
SCHEMBL1242991 0.76 TSHR (0.42) TSHRADRA1APDE4DGAASMN1; SMN2
SCHEMBL3476792 0.76 LMNA (0.44) TSHRADRA1APDE4DGAASMN1; SMN2

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-20160016916-A1 Exo Olefin-Containing Nuclear Transport Modulators and Uses Thereof KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-01-21 US disclosed
US-20160016916-A1 Exo Olefin-Containing Nuclear Transport Modulators and Uses Thereof KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-01-21 US disclosed
WO-2014152263-A1 EXO OLEFIN-CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2014-09-25 WO disclosed
US-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 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-20160016916-A1 Exo Olefin-Containing Nuclear Transport Modulators and Uses Thereof XPO1, XPOT, XPO5 TSHR 3727/4885ADRA1A 1055/4885PDE4D 4354/4885

“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.