SCHEMBL6404112

SCHEMBL6404112

CCC1(CC)CC(OC(C)=O)CC(CC)(CC)N1O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRM2 P08172 5/20 0.34
CHRM1 P11229 3/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM3 P20309 2/20 0.34
GAA P10253 2/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 1/20 0.31
F10 P00742 2/20 0.30
CYP2D6 P10635 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
SCHEMBL13870199 0.80 KMT2A (0.39) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL24833770 0.78 KMT2A (0.42) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL1139067 0.77 TSHR (0.50) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL7933474 0.76
SCHEMBL13887223 0.76 KMT2A (0.43) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL13760464 0.75 TSHR (0.45) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL241284 0.75 KMT2A (0.50) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL14523163 0.73 KMT2A (0.39) KMT2ATSHRALDH1A1ESR1HSD17B10
Acetic Acid SCHEMBL13732260 0.72 KMT2A (0.51) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL8811351 0.70 KMT2A (0.47) KMT2ATSHRALDH1A1ESR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9358195-B2 Stabilized body care products, household products, textiles and fabrics BASF SE (DE) 2016-06-07 US disclosed
US-20050220727-A1 Stabilized body care products, household products, textiles and fabrics CIBA CORPORATION 2005-10-06 US 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-20050220727-A1 Stabilized body care products, household products, textiles and fabrics CUTA, DHRS9, DSC1 KMT2A 789/4885TSHR 1597/4885ALDH1A1 816/4885

“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.