SCHEMBL5472252

SCHEMBL5472252

CC(C)(C)c1cc(C=C2C(=O)Nc3ccccc32)cc(C(C)(C)C)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 1.00
EGFR P00533 4/20 1.00
IGF1R P08069 2/20 1.00
CTRC Q99895 1/20 0.67
RAF1 P04049 1/20 0.66
PDGFRB P09619 3/20 0.65
NOX4 Q9NPH5 1/20 0.65
DHFR P00374 1/20 0.65
PLK4 O00444 3/20 0.60
PLK1 P53350 3/20 0.60
RET P07949 1/20 0.60
FLT3 P36888 1/20 0.60
EEF2K O00418 1/20 0.54
SRC P12931 1/20 0.54
KDR P35968 1/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
GMNN O75496 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 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
SCHEMBL5472251 1.00 ERBB2 (1.00) ERBB2EGFRIGF1RCTRCRAF1
SCHEMBL7312530 0.85 ERBB2 (0.73) ERBB2EGFRIGF1RCTRCRAF1
SCHEMBL7312535 0.85 ERBB2 (0.73) ERBB2EGFRIGF1RCTRCRAF1
SCHEMBL7319104 0.85 ERBB2 (0.73) ERBB2EGFRIGF1RCTRCRAF1
SCHEMBL7319107 0.85 ERBB2 (0.73) ERBB2EGFRIGF1RCTRCRAF1
SCHEMBL5468784 0.84 LRRK2 (0.72) ERBB2EGFRIGF1RCTRCPDGFRB
SCHEMBL5468785 0.84 LRRK2 (0.72) ERBB2EGFRIGF1RCTRCPDGFRB
SCHEMBL6694978 0.84 ERBB2 (0.72) ERBB2EGFRIGF1RCTRCRAF1
SCHEMBL6688476 0.84 ERBB2 (0.72) ERBB2EGFRIGF1RCTRCRAF1
SCHEMBL5083132 0.82 RAF1 (0.71) ERBB2EGFRIGF1RCTRCRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167488-A1 Novel therapeutic use LEO PHARMA A/S (DK) 2007-07-19 US claimed
EP-1696906-A1 NOVEL THERAPEUTIC USE OF INDOLINONE DERIVATIVES Leo Pharma A/S (DK) 2006-09-06 EP claimed
WO-2005058309-A1 NOVEL THERAPEUTIC USE OF INDOLINONE DERIVATIVES LEO PHARMA A/S (DK) 2005-06-30 WO claimed
US-20070167488-A1 Novel therapeutic use LEO PHARMA A/S (DK) 2007-07-19 US disclosed
EP-1696906-A1 NOVEL THERAPEUTIC USE OF INDOLINONE DERIVATIVES Leo Pharma A/S (DK) 2006-09-06 EP disclosed
WO-2005058309-A1 NOVEL THERAPEUTIC USE OF INDOLINONE DERIVATIVES LEO PHARMA A/S (DK) 2005-06-30 WO disclosed
WO-2004069998-A2 OXINDOLE DERIVATIVES AS ANTIMICROBIAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2004-08-19 WO disclosed
US-6420428-B1 TREATING HEPATITIS C AND HEPATIC FIBROSIS USING 2,6-DI-TERT-BUTYLPHENOL DERIVATIVES; EFFECTIVE IN SUBJECTS WITH INTERFERON INSUSCEPTIBILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-07-16 US disclosed
US-6369097-B1 Treatment and prevention of hepatic disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-04-09 US disclosed
US-6348493-B1 TREATMENT OF HEPATITIS C BY ADMINISTERING 2,6-DI-TER-BUTYLPHENOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-02-19 US disclosed
US-6218437-B1 ADMINISTERING A THERAPEUTIC AMOUNT OF DI-TERT-BUTYLPHENOL DERIVATIVE TO SUBJECT UNDER CONDITIONS SUCH THAT SAID SYMPTOMS ARE DIMINISHED THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-04-17 US disclosed
US-5124347-A Inhibits 5-lipoxygenase and cyclooxygenase; for treatment of allergies, arthritis, pain WARNER-LAMBERT CO. (US) 1992-06-23 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-20070167488-A1 Novel therapeutic use MAG, PMP22, MYT1 ERBB2 4314/4885EGFR 4415/4885IGF1R 3783/4885

“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.