SCHEMBL3189181

SCHEMBL3189181

CCCC(=O)O[C@@H]1CCCC[C@H]1OC(=O)CCC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.52
SLC18A3 Q16572 1/20 0.51
ALDH1A1 P00352 2/20 0.46
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CYP19A1 P11511 1/20 0.38
PRKCA P17252 5/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL3189185 1.00 NAAA (0.52) NAAASLC18A3ALDH1A1CHRM2CHRM4
SCHEMBL29315040 0.92 SLC18A3 (0.47) NAAASLC18A3ALDH1A1CHRM2CHRM4
SCHEMBL31459830 0.88 CYP19A1 (0.51) NAAASLC18A3ALDH1A1CHRM2CHRM4
SCHEMBL18334321 0.88 CYP19A1 (0.51) NAAASLC18A3ALDH1A1CHRM2CHRM4
SCHEMBL3944848 0.88 SLC18A3 (0.47) NAAASLC18A3ALDH1A1CHRM2CHRM4
SCHEMBL28446547 0.88 NAAA (0.62) NAAASLC18A3PRKCA
SCHEMBL28446549 0.88 NAAA (0.62) NAAASLC18A3PRKCA
SCHEMBL3744075 0.87 SLC18A3 (0.46) NAAASLC18A3ALDH1A1CHRM2CHRM4
SCHEMBL3189677 0.86 NAAA (0.71) NAAAPRKCA
SCHEMBL3189683 0.86 NAAA (0.71) NAAAPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420853-B2 Derivatives of cyclic compound and the use thereof Wonkisopharm Co., Ltd (KR) 2013-04-16 US claimed
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
CN-106309421-B Pharmaceutical composition and cosmetic composition 沃凯索法株式会社 2020-08-25 CN disclosed
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 NAAA 3623/4885SLC18A3 2163/4885ALDH1A1 2889/4885

“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.