SCHEMBL18959751

SCHEMBL18959751

COc1ccc(F)cc1[C@H](CC(C)C)O[C@H]1CC[C@@H](C)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.39
SLC6A4 P31645 7/20 0.39
ACACB O00763 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A3 Q01959 5/20 0.35
ACACA Q13085 2/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL18964399 0.89 ACACB (0.41) SLC6A2SLC6A4ACACBHTR2AHTR2C
SCHEMBL18959753 0.89 SLC6A2 (0.40) SLC6A2SLC6A4ACACBHTR2AHTR2C
SCHEMBL18908179 0.87 ACACB (0.48) SLC6A2SLC6A4ACACBHTR2AHTR2C
SCHEMBL18908180 0.86 ACACB (0.42) SLC6A2SLC6A4ACACBHTR2AHTR2C
SCHEMBL18959743 0.86 ACACB (0.38) SLC6A2SLC6A4ACACBHTR2AHTR2C
SCHEMBL18959741 0.78 KDM4E (0.38) SLC6A2SLC6A4HTR2AHTR2C
SCHEMBL18961581 0.77 PTGDR2 (0.33) SLC6A2SLC6A4ACACBHTR2CACACA
SCHEMBL18914372 0.77 ACACB (0.42) SLC6A2SLC6A4ACACBHTR2AHTR2C
SCHEMBL18959737 0.76 HTR2A (0.38) SLC6A2SLC6A4HTR2AHTR2CSMN1; SMN2
SCHEMBL21231882 0.75 ACACA (0.40) ACACBACACA

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-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
US-20170166583-A1 ESTER 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 (2 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-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 SLC6A2 4204/4885SLC6A4 4185/4885ACACB 2/4885
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, PC SLC6A2 4478/4885SLC6A4 4246/4885ACACB 2/4885

“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.