SCHEMBL2409618

SCHEMBL2409618

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.60
HPGD P15428 1/20 0.60
ATM Q13315 1/20 0.59
HCAR2 Q8TDS4 4/20 0.52
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP3A4 P08684 1/20 0.41
APP P05067 1/20 0.39
NAAA Q02083 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL2413042 0.88 HCAR2 (0.48) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL130609 0.86 ATM (0.65) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL128719 0.86 ATM (0.65) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL131584 0.84 ATM (0.63) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL2410460 0.84 TSHR (0.64) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL2485450 0.82 ATM (0.61) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL4740627 0.82 ATM (0.61) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL7756597 0.81 ATM (0.66) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL6970553 0.80 HCAR2 (0.58) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL3772230 0.80 HCAR2 (0.58) TSHRHPGDATMHCAR2ALDH1A1

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 1576/4885HPGD 169/4885ATM 2809/4885
US-20100093782-A1 Pyrazolonaphthyridine derivatives PDE3B, PDE3A, PDE4A TSHR 1639/4885HPGD 205/4885ATM 2768/4885

“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.