SCHEMBL18959862

SCHEMBL18959862

CC(C)C[C@@H](C)OCC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
PRKCA P17252 2/20 0.30
PRKCD Q05655 2/20 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
SCHEMBL18959707 0.80 RNPEP (0.30)
SCHEMBL16591016 0.77 HTT (0.34)
SCHEMBL18025231 0.76 HRH3 (0.36) CYP2C19
SCHEMBL12013150 0.76 CYP2C19 (0.31) CYP2C19
SCHEMBL12013701 0.76 CYP2C19 (0.31) CYP2C19
SCHEMBL12826255 0.74 ALDH1A1 (0.32)
SCHEMBL4491028 0.74
SCHEMBL5961020 0.72
SCHEMBL15383221 0.72 TDP1 (0.34)
SCHEMBL16590938 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
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 (3 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 CYP2C19 897/4885PRKCA 298/4885PRKCD 880/4885
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, PC CYP2C19 398/4885PRKCA 637/4885PRKCD 1239/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 CYP2C19 533/4885PRKCA 926/4885PRKCD 1612/4885

“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.