SCHEMBL2409688

SCHEMBL2409688

[CH2]CC[CH]C(=O)OCC(C)C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.61
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RAB9A P51151 1/20 0.30
P2RX4 Q99571 1/20 0.30

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
SCHEMBL2408629 0.85 TSHR (0.63) TSHRALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL127788 0.81 TSHR (0.57) TSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL127994 0.81 TSHR (0.57) TSHRALDH1A1HPGDSMN1; SMN2TDP1
SCHEMBL2408656 0.78
SCHEMBL127406 0.78 TSHR (0.59) TSHRALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL128626 0.78 TSHR (0.59) TSHRALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL129292 0.78 TSHR (0.53) TSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL2406517 0.77 HCAR2 (0.43) TSHR
SCHEMBL128510 0.76 TSHR (0.52) TSHR
SCHEMBL16448 0.76

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
EP-1559716-B1 PYRAZOLONAPHTHYRIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2011-09-14 EP disclosed
US-20100093782-A1 Pyrazolonaphthyridine derivatives KANAZAWA HASHIME 2010-04-15 US disclosed
US-7608716-B2 Pyrazolonaphthyridine derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-27 US disclosed
US-20060040972-A1 Pyrazolonaphthyridine derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-23 US disclosed
EP-1559716-A1 PYRAZOLONAPHTHYRIDINE DERIVATIVE Grelan Pharmaceutical Co., Ltd. (JP) 2005-08-03 EP 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-20060040972-A1 Pyrazolonaphthyridine derivative PDE3B, PDE3A, PDE4A TSHR 1576/4885ALDH1A1 909/4885HPGD 169/4885
US-20100093782-A1 Pyrazolonaphthyridine derivatives PDE3B, PDE3A, PDE4A TSHR 1639/4885ALDH1A1 997/4885HPGD 205/4885

“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.