SCHEMBL3186018

SCHEMBL3186018

CC(C)CCC(=O)OC1CCCCC1OC(=O)CCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
NAAA Q02083 2/20 0.40
CA1 P00915 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SLC18A3 Q16572 1/20 0.36
CYP19A1 P11511 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
TSHR P16473 1/20 0.34
NR1I2 O75469 1/20 0.34
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL28440268 0.90 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL13667127 0.85 NAAA (0.56) ALDH1A1MEN1KMT2ANAAACA1
SCHEMBL3190056 0.84 NAAA (0.40) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL585907 0.83 NAAA (0.57) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL19690410 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL4780402 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL30142107 0.79 CA1 (0.38) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL3189181 0.78 NAAA (0.52) ALDH1A1MEN1KMT2ANAAASLC18A3
SCHEMBL3189185 0.78 NAAA (0.52) ALDH1A1MEN1KMT2ANAAASLC18A3
SCHEMBL17123313 0.77 BCHE (0.45) CA1

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 ALDH1A1 2889/4885MEN1 4223/4885KMT2A 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.