SCHEMBL18908167

SCHEMBL18908167

CC[C@H](OC1CCOCC1)c1cc(F)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.49
ACACA Q13085 5/20 0.46
PDE4D Q08499 7/20 0.45
PDE4A P27815 5/20 0.45
PDE4B Q07343 5/20 0.45
PDE4C Q08493 5/20 0.45
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL18909759 0.90 PDE4D (0.51) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL18907641 0.89 ACACB (0.53) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL16245922 0.89 ACACB (0.53) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL18908179 0.88 ACACB (0.48) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL18907021 0.87 ACACA (0.41) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL18908171 0.85 ACACB (0.44) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL18914372 0.85 ACACB (0.42) ACACBACACASLC6A2SLC6A4SLC6A3
SCHEMBL18964397 0.84 ACACB (0.43) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL18907643 0.82 ACACB (0.50) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL29750457 0.81 ACACA (0.49) ACACBACACAPDE4DPDE4APDE4B

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 4 patents. 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
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
WO-2017091617-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 WO 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 ACACB 2/4885ACACA 1/4885PDE4D 2569/4885
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, PC ACACB 2/4885ACACA 1/4885PDE4D 2701/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885PDE4D 2986/4885

“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.