SCHEMBL17439057

SCHEMBL17439057

C=CCOc1cccc(C(=N)N)c1OCC=C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.47
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
TLR4 O00206 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2A6 P11509 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SETDB1 Q15047 1/20 0.36
GAA P10253 1/20 0.36
PARP1 P09874 1/20 0.36
ADRB2 P07550 2/20 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
SCHEMBL7723507 0.85 LIG1 (0.58) LIG1HPGDTSHRMAPK1HSD17B10
Hydrochloric Acid SCHEMBL7722654 0.84 LIG1 (0.56) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL9774243 0.79 LIG1 (0.55) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL1628363 0.79 TSHR (0.50) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL13400836 0.78 LIG1 (0.54) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL3944765 0.78 LIG1 (0.54) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL3937140 0.76 LIG1 (0.55) LIG1HPGDTSHRKDM4EPOLB
SCHEMBL7072808 0.75 HPGD (0.47) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL2470333 0.75 LIG1 (0.54) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL28071261 0.74 TSHR (0.46) LIG1HPGDTSHRMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981070-B2 Coating composition and medical device TERUMO KABUSHIKI KAISHA (JP) 2018-05-29 US disclosed
US-20160015864-A1 COATING COMPOSITION AND MEDICAL DEVICE TERUMO KABUSHIKI KAISHA (JP) 2016-01-21 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-20160015864-A1 COATING COMPOSITION AND MEDICAL DEVICE CUTA, MLEC, PHOSPHO1 LIG1 3238/4885HPGD 3172/4885TSHR 4631/4885

“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.