SCHEMBL5139277

SCHEMBL5139277

COc1ccc(C=O)c(O[Si](C)(C)C(C)(C)C)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
SRC P12931 1/20 0.40
LMNA P02545 2/20 0.38
PRKDC P78527 1/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ERN1 O75460 4/20 0.37
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.34

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
SCHEMBL22230872 0.95 ALDH1A1 (0.40) ALDH1A1SRCLMNAPRKDCTSHR
SCHEMBL6904874 0.90 CA1 (0.32) ALDH1A1LMNACA1CA2DRD2
SCHEMBL2871507 0.86 SRC (0.52) ALDH1A1SRCLMNAPRKDCKDM4E
SCHEMBL5179449 0.84 LMNA (0.42) ALDH1A1LMNATSHRKDM4EERN1
SCHEMBL5042411 0.81 ALDH1A1 (0.33) ALDH1A1TSHRKDM4ECA1CA2
SCHEMBL6906689 0.80 MEN1 (0.40) ALDH1A1TSHRKDM4ECA1MAPT
SCHEMBL1337920 0.80 F2R (0.39) ALDH1A1LMNAPRKDCTSHRKDM4E
SCHEMBL9906779 0.79 ALOX5AP (0.35) ERN1CA1CA2
SCHEMBL6907417 0.78 PREP (0.32) ALDH1A1CA1
SCHEMBL13876764 0.78 KCNJ1 (0.34) ALDH1A1LMNACA1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200297658-A1 Compositions and Methods for Treatment of Cancer TERMAN DAVID S (US) 2020-09-24 US disclosed
EP-1601348-A4 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE INC (US) 2008-12-10 EP disclosed
US-7078552-B2 Combretastatin A-1 phosphate and combretastatin B-1 phosphate prodrugs ARIZONA BOARD OF REGENTS (US) 2006-07-18 US disclosed
EP-1601348-A2 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE, INC. (US) 2005-12-07 EP disclosed
EP-1278758-A4 COMBRETASTATIN A-1 PHOSPHATE AND COMBRETASTATIN B-1 PHOSPHATE PRODRUGS UNIV ARIZONA STATE (US) 2005-10-19 EP disclosed
WO-2004078126-A2 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE, INC. (US) 2004-09-16 WO disclosed
US-20030220298-A1 Combrestatin a-1 phosphate and combrestatin b-1 phosphate prodrugs ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2003-11-27 US disclosed
EP-1278758-A1 COMBRETASTATIN A-1 PHOSPHATE AND COMBRETASTATIN B-1 PHOSPHATE PRODRUGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA acting for and on behalf of ARIZONA STATE UNIVERSITY (US) 2003-01-29 EP disclosed
WO-2001081355-A1 COMBRETASTATIN A-1 PHOSPHATE AND COMBRETASTATIN B-1 PHOSPHATE PRODRUGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA,ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2001-11-01 WO disclosed
US-5569786-A ANTICARCINOGENIC AGENTS, LEUKEMIA ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1996-10-29 US disclosed
US-5409953-A Administering to treat lymphocytic leukemia ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1995-04-25 US disclosed
EP-0276051-B1 ANTINEOPLASTIC COMPOUNDS ARIZONA BOARD OF REGENTS (US) 1991-08-21 EP disclosed
EP-0276051-A2 Antineoplastic compounds ARIZONA BOARD OF REGENTS (US) 1988-07-27 EP 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 (2 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-20200297658-A1 Compositions and Methods for Treatment of Cancer CD47, VEGFA, VHL ALDH1A1 4444/4885SRC 1173/4885LMNA 578/4885
US-20030220298-A1 Combrestatin a-1 phosphate and combrestatin b-1 phosphate prodrugs APRT, TYMP, PCYT1A ALDH1A1 1586/4885SRC 3293/4885LMNA 1755/4885

“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.