SCHEMBL4359539

SCHEMBL4359539

CC(C)(C)c1ccc(Cn2cc(C(=O)O)c3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.70
MAPK1 P28482 1/20 0.70
LMNA P02545 1/20 0.61
CHRM1 P11229 3/20 0.58
POLB P06746 1/20 0.57
ADORA1 P30542 1/20 0.56
SERPINE1 P05121 2/20 0.56
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
NPSR1 Q6W5P4 3/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL28575852 0.87 SLC22A12 (0.62) L3MBTL1MAPK1LMNACHRM1POLB
SCHEMBL5428199 0.86 NR1I2 (0.54) L3MBTL1MAPK1LMNACHRM1POLB
SCHEMBL1606606 0.86 LMNA (0.80) L3MBTL1MAPK1LMNACHRM1ADORA1
SCHEMBL31693410 0.85 TP53 (0.67) L3MBTL1MAPK1LMNACHRM1POLB
SCHEMBL28222415 0.83 LMNA (0.68) L3MBTL1MAPK1LMNACHRM1POLB
SCHEMBL13621801 0.83 LMNA (0.68) L3MBTL1MAPK1LMNACHRM1POLB
SCHEMBL30497877 0.82 POLB (0.78) L3MBTL1MAPK1LMNACHRM1POLB
SCHEMBL28397328 0.82 L3MBTL1 (1.00) L3MBTL1MAPK1LMNAPOLBADORA1
SCHEMBL16341399 0.82 LMNA (0.73) L3MBTL1MAPK1LMNACHRM1
SCHEMBL3429738 0.81 CHRM1 (0.65) L3MBTL1MAPK1LMNACHRM1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883841-B2 Oncogenic ras-specific cytotoxic compound and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-11 US disclosed
US-8883841-B2 Oncogenic ras-specific cytotoxic compound and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-11 US disclosed
US-8883841-B2 Oncogenic ras-specific cytotoxic compound and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-11 US disclosed
EP-1956910-B1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF UNIV TEXAS (US) 2014-09-17 EP disclosed
CN-101360422-B Oncogenic Ras-specific cytotoxic compound and methods of usethereof UNIV TEXAS 2013-10-23 CN disclosed
US-20090286847-A1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-11-19 US disclosed
US-20090286847-A1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-11-19 US disclosed
US-20090286847-A1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-11-19 US disclosed
CN-101360422-A Oncogenic ras-specific cytotoxic compound and methods of usethereof UNIV TEXAS (US) 2009-02-04 CN disclosed
EP-1956910-A2 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF The Board of Regents of The University of Texas System (US) 2008-08-20 EP disclosed
WO-2007062399-A2 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-05-31 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-20090286847-A1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF KRAS, NRAS, HRAS L3MBTL1 452/4885MAPK1 284/4885LMNA 3617/4885

“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.