SCHEMBL14957641

SCHEMBL14957641

CCOC(=O)C1=C(N)C(=O)N(Cc2ccc(OC)cc2OC)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TDP1 Q9NUW8 2/20 0.51
POLB P06746 2/20 0.51
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
EGLN1 Q9GZT9 3/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 3/20 0.44

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
SCHEMBL27907002 0.87 HDAC3 (0.52) ALDH1A1TDP1POLBHDAC3HDAC4
SCHEMBL16761839 0.82 ALDH1A1 (0.52) ALDH1A1TDP1POLBHDAC3HDAC4
SCHEMBL18183854 0.75 ALDH1A1 (0.62) ALDH1A1TDP1POLBHDAC3HDAC4
SCHEMBL8175968 0.74 ALDH1A1 (0.54) ALDH1A1TDP1POLBHDAC3HDAC4
SCHEMBL10640944 0.73 KDM4E (0.53) ALDH1A1TDP1POLBHDAC3HDAC4
SCHEMBL24851923 0.73 EGLN1 (0.54) ALDH1A1TDP1POLBHDAC3HDAC4
SCHEMBL16839562 0.73 EGLN1 (0.46) ALDH1A1TDP1POLBHDAC3HDAC4
SCHEMBL8182105 0.72 HDAC3 (0.56) ALDH1A1TDP1POLBHDAC3HDAC4
SCHEMBL8331064 0.71 HDAC3 (0.58) ALDH1A1TDP1POLBHDAC3HDAC4
SCHEMBL2565094 0.71 HDAC3 (0.69) ALDH1A1TDP1POLBHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023858-B2 Substituted pyrido[2,3-d]pyrimidines as delta-5-desaturase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-05 US disclosed
EP-2597095-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Takeda Pharmaceutical Company Limited (JP) 2013-05-29 EP disclosed
US-20130131050-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-23 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-20130131050-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF LTB4R2, LTB4R, LTC4S ALDH1A1 633/4885TDP1 3242/4885POLB 4079/4885

“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.