SCHEMBL18964397

SCHEMBL18964397

CC[C@H](OC1CCC(=O)CC1)c1cc(F)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.43
TACR1 P25103 4/20 0.39
ACACA Q13085 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
NR3C1 P04150 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL18909752 0.91 ACACB (0.42) ACACBTACR1ACACAKDM4EPDE4A
SCHEMBL18820768 0.89 ACACB (0.46) ACACBTACR1ACACAKDM4EPDE4A
SCHEMBL18820315 0.89 ACACB (0.46) ACACBTACR1ACACAKDM4EPDE4A
SCHEMBL18908180 0.88 ACACB (0.42) ACACBTACR1ACACAKDM4EPDE4A
SCHEMBL19361570 0.86 CACNB4 (0.36) ACACBACACAPDE4APDE4BPDE4C
SCHEMBL18908167 0.84 ACACB (0.49) ACACBACACAPDE4APDE4BPDE4C
SCHEMBL18914372 0.84 ACACB (0.42) ACACBACACASLC6A2SLC6A4SLC6A3
SCHEMBL18821278 0.83 ACACB (0.43) ACACBTACR1ACACAPDE4APDE4B
SCHEMBL18820854 0.78 ACACA (0.37) ACACBACACA
SCHEMBL18959743 0.76 ACACB (0.38) ACACBTACR1ACACASLC6A2SLC6A4

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-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
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 ACACB 2/4885TACR1 4110/4885ACACA 1/4885
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, PC ACACB 2/4885TACR1 4258/4885ACACA 1/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 ACACB 2/4885TACR1 3985/4885ACACA 1/4885

“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.