SCHEMBL27105697

SCHEMBL27105697

CC(C)NCCCCCNCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.50
CA6 P23280 5/20 0.50
CA7 P43166 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
CA5B Q9Y2D0 5/20 0.50
CA2 P00918 4/20 0.50
CA4 P22748 4/20 0.50
CA5A P35218 4/20 0.50
CA3 P07451 3/20 0.50
ALOX15 P16050 3/20 0.48
MEN1 O00255 2/20 0.48
RECQL P46063 2/20 0.48
KMT2A Q03164 2/20 0.48
F13A1 P00488 2/20 0.48
CYP1A2 P05177 2/20 0.48
THPO P40225 2/20 0.48
CASP2 P42575 2/20 0.48
CYP2C19 P33261 2/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL24001448 0.95 CA12 (0.52) CA12CA6CA7CA9CA14
SCHEMBL19086825 0.93 CA12 (0.56) CA12CA6CA7CA9CA14
SCHEMBL14522871 0.88 CA12 (0.59) CA12CA6CA7CA9CA14
SCHEMBL19240898 0.88 CA12 (0.56) CA12CA6CA7CA9CA14
SCHEMBL25566471 0.87 TSHR (0.45) CA12CA6CA7CA9CA14
SCHEMBL16260141 0.86 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL16260139 0.86 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL20968106 0.85 CA12 (0.43) CA12CA6CA7CA9CA14
SCHEMBL20968107 0.85 CA12 (0.43) CA12CA6CA7CA9CA14
SCHEMBL20968105 0.85 CA12 (0.43) CA12CA6CA7CA9CA14

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
EP-4328219-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-02-28 EP disclosed
US-9409116-B2 Porous polymer network materials THE TEXAS A&M UNIVERSITY SYSTEM (US) 2016-08-09 US disclosed
US-20150182903-A1 Porous Polymer Network Materials U.S. DEPARTMENT OF ENERGY 2015-07-02 US disclosed
US-20140349918-A1 DERIVATIVES OF XANTHONE COMPOUNDS SINGAPORE HEALTH SERVICES PTE LTD. (SG) 2014-11-27 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-20140349918-A1 DERIVATIVES OF XANTHONE COMPOUNDS XDH, XPA, SQLE CA12 4592/4885CA6 3725/4885CA7 4122/4885

“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.