SCHEMBL4503382

SCHEMBL4503382

Nc1ccc(OC2C=COC2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.33
MAOA P21397 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PARP10 Q53GL7 1/20 0.31
TEAD4 Q15561 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL3977600 0.82 CA1 (0.32) ALDH1A1CYP3A4MAPK1MAOAMAPT
SCHEMBL3971856 0.82 ALOX5 (0.32) NPC1RAB9A
SCHEMBL4327315 0.78 DDB1 (0.41) TDP1ALDH1A1CYP3A4MAPK1MAPT
SCHEMBL3972509 0.78 CA1 (0.38) ALDH1A1MAOAMAOB
SCHEMBL2313060 0.66
SCHEMBL4503380 0.63 POLB (0.41) TDP1ALDH1A1TSHRCYP3A4KDM4E
SCHEMBL8314928 0.61 TDP1 (0.50) TDP1ALDH1A1TSHRCYP3A4MAPK1
SCHEMBL6903727 0.61 TDP1 (0.50) TDP1ALDH1A1TSHRCYP3A4MAPK1
SCHEMBL31587885 0.60 POLB (0.34)
SCHEMBL18037885 0.60 ALDH1A1 (0.44) TDP1ALDH1A1TSHRCYP3A4MAPK1

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
US-7553842-B2 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. (US) 2009-06-30 US disclosed
EP-1838316-A2 MACROCYCLIC ANALOGS FOR THE TREATMENT OF IMMUNOREGULATORY DISORDERS AND RESPIRATORY DISEASES Array Biopharma, Inc. (US) 2007-10-03 EP disclosed
WO-2006078724-A2 MACROCYCLIC ANALOGS FOR THE TREATMENT OF IMMUNOREGULATORY DISORDERS AND RESPIRATORY DISEASES ARRAY BIOPHARMA NC. (US) 2006-07-27 WO disclosed
US-20060160838-A1 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. 2006-07-20 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-20060160838-A1 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases TSLP, XDH, IFNG TDP1 2913/4885ALDH1A1 1573/4885TSHR 1160/4885

“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.