SCHEMBL2595476

SCHEMBL2595476

COC(=O)CCCCCCCCCC#CBr

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PTPN7 P35236 3/20 0.40
HMGCR P04035 3/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL28035577 1.00 TSHR (0.52) TSHRLMNAALDH1A1PTPN7HMGCR
SCHEMBL7795312 0.92 TSHR (0.56) TSHRLMNAALDH1A1KMT2ACA12
SCHEMBL13892956 0.82 TSHR (0.54) TSHRLMNAALDH1A1PTPN7HMGCR
SCHEMBL10794247 0.81 TSHR (0.67) TSHRLMNAALDH1A1PTPN7HMGCR
SCHEMBL10794256 0.81 TSHR (0.67) TSHRLMNAALDH1A1PTPN7HMGCR
SCHEMBL8596453 0.81 TSHR (0.52) TSHRLMNAALDH1A1PTPN7HMGCR
SCHEMBL8411340 0.81 PTPN7 (0.63) TSHRLMNAALDH1A1PTPN7HMGCR
SCHEMBL12910845 0.81 TSHR (0.52) TSHRLMNAALDH1A1PTPN7HMGCR
SCHEMBL3129143 0.81 PTPN7 (0.63) TSHRLMNAALDH1A1PTPN7HMGCR
SCHEMBL10403786 0.81 PTPN7 (0.63) TSHRLMNAALDH1A1PTPN7HMGCR

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-8722910-B2 Diyne compositions EVOLVA AG (CH) 2014-05-13 US disclosed
EP-2563769-A1 DIYNE COMPOSITIONS EVOLVA AG (CH) 2013-03-06 EP disclosed
US-20120196822-A1 Diyne Compositions EVOLVA AG (CH) 2012-08-02 US disclosed
WO-2011134538-A1 DIYNE COMPOSITIONS EVOLVA LTD (CH) 2011-11-03 WO 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-20120196822-A1 Diyne Compositions OSR1, ERG28, OSBPL3 TSHR 4613/4885LMNA 4321/4885ALDH1A1 3833/4885

“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.