SCHEMBL3185503

SCHEMBL3185503

CC(C)=CCOC1CCCCC1OCC=C(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
GSR P00390 2/20 0.32
OPRM1 P35372 1/20 0.32
BTN3A1 O00481 1/20 0.31
GBA1 P04062 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
SCHEMBL28442052 0.83 NFE2L2 (0.34) NFE2L2
SCHEMBL28443027 0.83 NFE2L2 (0.34) NFE2L2
SCHEMBL28442054 0.83 NFE2L2 (0.34) NFE2L2
SCHEMBL9396039 0.82 NFE2L2 (0.36) NFE2L2CHRM2CHRM1BTN3A1GBA1
SCHEMBL9398186 0.80 NPC1 (0.36) NFE2L2CHRM2CHRM1BTN3A1GBA1
SCHEMBL28446707 0.79 NFE2L2 (0.34) NFE2L2
SCHEMBL28441485 0.79 NFE2L2 (0.34) NFE2L2
SCHEMBL31695288 0.72 ATM (0.39) NFE2L2
SCHEMBL12306794 0.72 MEN1 (0.37) NFE2L2CHRM2CHRM1
SCHEMBL3225736 0.71 CHRM2 (0.50) CHRM2CHRM1

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
US-20100022461-A1 Novel Derivatives of Cyclic Compound And The Use Thereof WONKISOPHARM CO., LTD. (KR) 2010-01-28 US claimed
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 NFE2L2 93/4885CHRM2 4272/4885CHRM1 4444/4885

“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.