SCHEMBL1965985

SCHEMBL1965985

CC(C)c1c(I)cccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 2/20 0.43
MYC P01106 1/20 0.42
MAPT P10636 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
NOTUM Q6P988 1/20 0.39
POLB P06746 2/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KEAP1 Q14145 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL3389839 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL8291097 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL28063008 0.78 MAPT (0.57) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL16466774 0.78 LMNA (0.45) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL5230216 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL29731918 0.78 TSHR (0.52) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL594604 0.78 TSHR (0.52) ALDH1A1KDM4EHPGDHSD17B10ALOX15
Hydrochloric Acid SCHEMBL9117656 0.77 LMNA (0.43) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL8817995 0.77 TSHR (0.57) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL30410098 0.77 HAAO (0.39) ALDH1A1KDM4EHPGDHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509946-B1 SPIRO INDOLE-CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS HOFFMANN LA ROCHE (CH) 2014-04-16 EP disclosed
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-8354443-B2 Cyclopropane indolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2509946-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
WO-2011069298-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
WO-2011070039-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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 (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-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 ALDH1A1 237/4885KDM4E 2343/4885HPGD 2120/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 ALDH1A1 233/4885KDM4E 2268/4885HPGD 2074/4885

“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.