SCHEMBL3188398

SCHEMBL3188398

C/C=C/C=C/C(=O)OC1CCCCC1OC(=O)/C=C/C=C/C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.46
EDNRB P24530 3/20 0.38
ATM Q13315 1/20 0.34
SERPINE1 P05121 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 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
SCHEMBL3188408 1.00 EDNRA (0.46) EDNRAEDNRBATMSERPINE1MEN1
SCHEMBL4781593 0.86 ATM (0.37) EDNRAATMSERPINE1MEN1KMT2A
SCHEMBL4781594 0.86 ATM (0.37) EDNRAATMSERPINE1MEN1KMT2A
SCHEMBL1656157 0.85 EDNRA (0.43) EDNRAEDNRBLMNAMAPK1HTT
SCHEMBL1656158 0.85 EDNRA (0.43) EDNRAEDNRBLMNAMAPK1HTT
SCHEMBL4625976 0.84 ATM (0.36) EDNRAATMSERPINE1MEN1KMT2A
SCHEMBL1655803 0.83 EDNRA (0.42) EDNRAEDNRBHTT
SCHEMBL1655802 0.83 EDNRA (0.42) EDNRAEDNRBHTT
SCHEMBL4777117 0.78 ATM (0.35) EDNRAATMSERPINE1MEN1KMT2A
SCHEMBL4777121 0.78 ATM (0.35) EDNRAATMSERPINE1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008004788-A1 NOVEL DERIVATIVES OF CYCLIC COMPOUND AND THE USE THEREOF WONKISOPHARM CO., LTD. (KR) 2008-01-10 WO claimed
US-8420853-B2 Derivatives of cyclic compound and the use thereof Wonkisopharm Co., Ltd (KR) 2013-04-16 US disclosed
US-20100022461-A1 Novel Derivatives of Cyclic Compound And The Use Thereof WONKISOPHARM CO., LTD. (KR) 2010-01-28 US disclosed
WO-2008004788-A1 NOVEL DERIVATIVES OF CYCLIC COMPOUND AND THE USE THEREOF WONKISOPHARM CO., LTD. (KR) 2008-01-10 WO 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-20100022461-A1 Novel Derivatives of Cyclic Compound And The Use Thereof TYR, MC1R, PDE7A EDNRA 1757/4885EDNRB 1354/4885ATM 2467/4885

“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.