SCHEMBL3544880

SCHEMBL3544880

COCCOCCOCCOCCOCCOCCOCCOC(=O)OCCOCCOCCOCCOCCOCCOCCOC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 6/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCB11 O95342 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2B P18089 1/20 0.39
OPRD1 P41143 1/20 0.39
SCN5A Q14524 1/20 0.39
CA2 P00918 1/20 0.38
THRB P10828 1/20 0.35
SERPINE1 P05121 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 2/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
ASGR1 P07306 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
SCHEMBL1471619 1.00 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3542370 1.00 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1471718 1.00 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3542619 1.00 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3542471 1.00 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21876976 1.00 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1469808 1.00 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3541324 1.00 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3541649 1.00 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3545851 1.00 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP claimed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US claimed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US claimed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP claimed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 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 (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-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 TSHR 4285/4885ALDH1A1 371/4885TP53 18/4885

“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.