SCHEMBL13813243

SCHEMBL13813243

COc1ccc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
TTR P02766 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
RAD52 P43351 1/20 0.34
CA2 P00918 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC2A1 P11166 1/20 0.33
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL13572433 0.82 CA2 (0.50) MAPTTTRKDM4EPOLBCA2
SCHEMBL6139350 0.80 SMN1; SMN2 (0.40) MAPTTTRKDM4EGLAPOLB
SCHEMBL13813240 0.78 MAPT (0.35) MAPTTTRKDM4EGLAPOLB
Bromide SCHEMBL4434122 0.75 SIGMAR1 (0.38) MAPTTTRKDM4EGLAPOLB
SCHEMBL14524064 0.75 SMYD2 (0.31) SMN1; SMN2HTT
SCHEMBL14534520 0.74 PPARD (0.32) MAPTPOLBSMN1; SMN2HTTALDH1A1
SCHEMBL4707752 0.73 MAPT (0.43) MAPTKDM4EGAACA2HTT
SCHEMBL15463054 0.71 POLB (0.33) MAPTKDM4EPOLBSMN1; SMN2HTT
SCHEMBL1414592 0.71 PTGS2 (0.46) MAPTKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL5334814 0.71 NPC1 (0.43) MAPTKDM4EGAASMN1; SMN2HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547686-B2 Combretastatin A-3 prodrug Arizona Board of Regents, a body corporate of the State of Arizona, Acting for and on Behalf of the Arizona State University (US) 2009-06-16 US disclosed
US-7507851-B2 Halocombstatins and methods of synthesis thereof ARIZONA BOARD OF REGENTS, A STATE CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2009-03-24 US disclosed
US-20080119649-A1 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2008-05-22 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-20080119649-A1 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF TUBB3, TUBB8B, TUBB8 MAPT 258/4885TTR 3767/4885KDM4E 4783/4885

“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.