SCHEMBL17467864

SCHEMBL17467864

CCC(C)CC(C)NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MTNR1A P48039 7/20 0.38
MTNR1B P49286 7/20 0.38
ACACB O00763 8/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL862258 0.80
SCHEMBL13036241 0.80
SCHEMBL50404 0.80
SCHEMBL17640940 0.78 ALDH1A1 (0.58) ALDH1A1MTNR1AMTNR1BACACB
SCHEMBL8365133 0.78 ALDH1A1 (0.58) ALDH1A1MTNR1AMTNR1BACACB
SCHEMBL8150869 0.78 ALDH1A1 (0.58) ALDH1A1MTNR1AMTNR1BACACB
SCHEMBL10255628 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL17057670 0.76 ALDH1A1 (0.45) ALDH1A1MTNR1AMTNR1BACACBSMN1; SMN2
SCHEMBL23259680 0.75 PLA2G2C (0.39) ALDH1A1
SCHEMBL20228713 0.75 ALDH1A1 (0.37) ALDH1A1MTNR1AMTNR1BACACBMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022847-A1 Radiotracer Compositions GE HEALTHCARE LIMITED (GB) 2016-01-28 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-20160022847-A1 Radiotracer Compositions FOLR2, FOLR1, PAICS ALDH1A1 29/4885MTNR1A 3677/4885MTNR1B 2681/4885

“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.