SCHEMBL4022882

SCHEMBL4022882

CCOC(=O)c1[nH]c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1-c1ccc(OC(C)C)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
XBP1 P17861 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
GABRA1 P14867 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
GABRA4 P48169 3/20 0.41
GABRA6 Q16445 3/20 0.41
MAPT P10636 5/20 0.38
GPR35 Q9HC97 1/20 0.38
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL5212633 0.85 ALDH1A1 (0.49) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL17600656 0.84 ALDH1A1 (0.48) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL5268234 0.83 BRD4 (0.44) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL4023351 0.82 MMP2 (0.52) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL5275498 0.79 MEN1 (0.49) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL4022950 0.78 ALDH1A1 (0.51) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL5210041 0.78 ALDH1A1 (0.45) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL5204577 0.77 PTGES (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5212831 0.77 ACACB (0.44) ALDH1A1HPGDMEN1KMT2AGABRA1
SCHEMBL334078 0.76 KMT2A (0.48) ALDH1A1HPGDCYP1A2XBP1CYP2C19

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 4 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
EP-1765775-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-03-28 EP disclosed
WO-2005123675-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 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-20080146616-A1 Indoles Useful in the Treatment of Inflammation IDO1, PTGS1, PTGER1 ALDH1A1 514/4885HPGD 72/4885CYP1A2 35/4885

“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.