SCHEMBL3177709

SCHEMBL3177709

CC(=O)C(C)COC1CCCCC1OCC(C)C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM1 P11229 1/20 0.33
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CYP19A1 P11511 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL28444234 0.90
SCHEMBL3185516 0.73 CTSV (0.40) MEN1ALDH1A1KMT2A
SCHEMBL14646344 0.70 MAPK1 (0.36) MEN1ALDH1A1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL3172425 0.70 KDM4E (0.31)
SCHEMBL3194979 0.68 KDM4E (0.38)
SCHEMBL8969180 0.68 RAB9A (0.40) MEN1ALDH1A1KMT2A
SCHEMBL24519282 0.67 TSHR (0.47) ALDH1A1APOBEC3AAPOBEC3GEPHX1
SCHEMBL8969288 0.67 RAB9A (0.39) MEN1ALDH1A1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL8969116 0.67 RAB9A (0.39) MEN1ALDH1A1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL13879136 0.67 CTSK (0.42)

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 MEN1 4223/4885ALDH1A1 2889/4885KMT2A 3230/4885

“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.