SCHEMBL4026026

SCHEMBL4026026

CCOC(=O)c1[nH]c2ccc(-c3ccc(C(C)(C)C)cc3)cc2c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 9/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
GAA P10253 3/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 7/20 0.46
CYP1A2 P05177 1/20 0.45
XBP1 P17861 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRA4 P48169 1/20 0.43

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
SCHEMBL5748188 0.91 ALOX15 (0.45) ALDH1A1KDM4EMAPTNPC1GAA
SCHEMBL334078 0.90 KMT2A (0.48) ALDH1A1KDM4EMAPTNPC1GAA
SCHEMBL5737134 0.85 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTNPC1GAA
SCHEMBL830378 0.80 ALDH1A1 (0.71) ALDH1A1KDM4EMAPTNPC1GAA
SCHEMBL2351650 0.80 GABRA1 (0.60) ALDH1A1KDM4EMAPTNPC1GAA
SCHEMBL4022950 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTNPC1GAA
SCHEMBL3001445 0.79 KDM4E (0.51) ALDH1A1KDM4EMAPTNPC1GAA
SCHEMBL1259124 0.79 KDM4E (0.61) ALDH1A1KDM4EMAPTNPC1GAA
SCHEMBL830073 0.79 KDM4E (0.54) ALDH1A1KDM4EMAPTNPC1GAA
SCHEMBL333983 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTNPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765775-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-04-29 EP disclosed
US-20080146616-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-06-19 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-20080146616-A1 Indoles Useful in the Treatment of Inflammation IDO1, PTGS1, PTGER1 ALDH1A1 514/4885KDM4E 2378/4885MAPT 3150/4885

“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.