SCHEMBL4354844

SCHEMBL4354844

OCc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 8/20 0.54
PARP1 P09874 1/20 0.53
HTR6 P50406 1/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 3/20 0.51
MAPK10 P53779 1/20 0.51
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
CYP19A1 P11511 3/20 0.48
ADAM17 P78536 1/20 0.47
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL16027076 0.89 HTR6 (0.54) ICMTHTR6POLBMAPTLMNA
SCHEMBL16026993 0.86 HTR6 (0.55) ICMTPARP1HTR6POLBMAPT
SCHEMBL2595192 0.86 ICMT (0.74) ICMTLMNAALDH1A1SMN1; SMN2
SCHEMBL4359581 0.85 HTR6 (0.69) HTR6POLBMAPTALDH1A1CHRNB2
SCHEMBL3859905 0.83 ADAM17 (0.55) ICMTPARP1HTR6MAPTMAPK10
SCHEMBL3859902 0.83 ADAM17 (0.55) ICMTPARP1HTR6MAPTMAPK10
SCHEMBL9733236 0.82 HTR6 (0.50) ICMTPARP1HTR6POLBMAPT
SCHEMBL7113697 0.80 POLB (0.74) HTR6POLBLMNAALDH1A1CHRNB2
SCHEMBL4357045 0.80 ALDH1A1 (0.74) PARP1HTR6POLBMAPTMAPK10
SCHEMBL8686733 0.80 ALDH1A1 (0.71) ICMTPARP1MAPTMAPK10LMNA

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 10 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 claimed
EP-1956910-B1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF UNIV TEXAS (US) 2014-09-17 EP claimed
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 claimed
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 claimed
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 claimed
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
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
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 ICMT 1391/4885PARP1 1270/4885HTR6 3758/4885

“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.