SCHEMBL5367228

SCHEMBL5367228

CC(C)(C)c1cc(C=O)cc(I)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.51
GABBR1 Q9UBS5 2/20 0.51
HTT P42858 1/20 0.46
EEF2K O00418 1/20 0.45
SRC P12931 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.44
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL85764 0.86 GABBR2 (0.66) GABBR2GABBR1HTTEEF2KSRC
Hydrochloric Acid SCHEMBL31385524 0.84 GABBR2 (0.63) GABBR2GABBR1HTTEEF2KSRC
Water SCHEMBL1502206 0.84 GABBR2 (0.63) GABBR2GABBR1HTTEEF2KSRC
Water SCHEMBL1502204 0.84 GABBR2 (0.63) GABBR2GABBR1HTTEEF2KSRC
SCHEMBL1005116 0.84 ERN1 (0.52) HTTMEN1KMT2APTGS2LMNA
SCHEMBL23801955 0.81 GABBR2 (0.55) GABBR2GABBR1HTTEEF2KSRC
SCHEMBL4071721 0.79 CYP1A2 (0.57) GABBR2GABBR1HTTEEF2KSRC
SCHEMBL29850401 0.79 GABBR2 (0.53) GABBR2GABBR1HTTEEF2KSRC
SCHEMBL570881 0.79 GABBR2 (0.53) GABBR2GABBR1HTTEEF2KSRC
SCHEMBL5376916 0.78 IGF1R (0.59) GABBR2GABBR1HTTEEF2KSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
WO-2006087718-A1 EXTENSION OF LIFESPAN WITH DRUGS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-08-24 WO disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 US disclosed
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed
US-6133305-A PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED DISORDERS SUCH AS CANCER SUGEN, INC. (US) 2000-10-17 US disclosed
US-4064266-A Compositions for killing internal parasites containing 3-tert-alkyl-4-hydroxy-5-halo-benzylidene-malonitriles ICI AUSTRALIA LIMITED (AU) 1977-12-20 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-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK GABBR2 2922/4885GABBR1 2789/4885HTT 1794/4885

“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.