SCHEMBL18972020

SCHEMBL18972020

CCCCOCC(C)COCc1cc(F)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.41
SLC6A4 P31645 13/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SLC6A3 Q01959 12/20 0.37
PKM P14618 1/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL18961622 0.80 PKM (0.45) SLC6A2SLC6A4ALDH1A1MEN1POLB
SCHEMBL18908266 0.77 KCNH2 (0.32) MEN1KMT2ANPSR1
SCHEMBL18908288 0.77 KCNH2 (0.32) MEN1KMT2ANPSR1
SCHEMBL16316041 0.77 NPSR1 (0.41) SLC6A2SLC6A4ALDH1A1GAAMEN1
SCHEMBL1941962 0.75 ALDH1A1 (0.47) SLC6A2SLC6A4ALDH1A1GAAMEN1
SCHEMBL10263254 0.74 L3MBTL1 (0.50) ALDH1A1HPGD
SCHEMBL19304392 0.72 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL16892264 0.69 ALDH1A1 (0.53) SLC6A2SLC6A4ALDH1A1GAAMEN1
SCHEMBL22502082 0.69 L3MBTL1 (0.53) ALDH1A1HPGD
SCHEMBL29378554 0.69 L3MBTL1 (0.53) ALDH1A1HPGD

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-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 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-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 SLC6A2 3992/4885SLC6A4 3844/4885ALDH1A1 203/4885

“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.