SCHEMBL4118014

SCHEMBL4118014

CCOC(=O)c1nccn1CCCBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
JMJD6 Q6NYC1 1/20 0.39
TBXAS1 P24557 2/20 0.38
RGS12 O14924 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
TLR8 Q9NR97 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL30554008 0.91 JMJD6 (0.40) ALDH1A1POLBKMT2AJMJD6TBXAS1
SCHEMBL27486503 0.88 ALDH1A1 (0.54) ALDH1A1POLBKMT2AJMJD6TBXAS1
SCHEMBL1838525 0.87 TNF (0.47) TNF
SCHEMBL30554011 0.86 ALDH1A1 (0.41) ALDH1A1POLBKMT2AJMJD6TBXAS1
SCHEMBL30554028 0.85 JMJD6 (0.42) ALDH1A1POLBKMT2AJMJD6TBXAS1
SCHEMBL28419174 0.83 CYP1A2 (0.42) ALDH1A1POLBKMT2AJMJD6TBXAS1
SCHEMBL1422820 0.83 CYP1A2 (0.45) ALDH1A1POLBKMT2AJMJD6TBXAS1
SCHEMBL30554005 0.82 JMJD6 (0.40) ALDH1A1KMT2AJMJD6TBXAS1RGS12
SCHEMBL30554009 0.82 ALDH1A1 (0.42) ALDH1A1POLBKMT2AJMJD6TBXAS1
SCHEMBL12706154 0.82 LPO (0.42) ALDH1A1KMT2AJMJD6RGS12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 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 (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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALDH1A1 1599/4885POLB 4317/4885KMT2A 4216/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALDH1A1 1599/4885POLB 4317/4885KMT2A 4216/4885

“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.