SCHEMBL10279988

SCHEMBL10279988

CCCCC(CC)COC(=O)CCSc1ccc(C(=O)OC)cc1N=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ TSHR P16473 4/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ CYP3A4 P08684 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ LMNA P02545 4/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CA2 P00918 1/20 0.42
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ ERAP2 Q6P179 2/20 0.36
▸ LNPEP Q9UIQ6 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL10280153 0.93 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL21111948 0.87 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL1391628 0.87 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL1390700 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL1390827 0.83 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL1391125 0.82 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL1391047 0.80 ERAP2 (0.48) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL1391046 0.80 ERAP2 (0.48) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL10280559 0.79 TDP1 (0.42) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL1391318 0.79 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 — — 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB ALDH1A1 762/4885TSHR 3927/4885MAPK1 347/4885

“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.

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