SCHEMBL18908255

SCHEMBL18908255

CCCCOCCCC(CO)c1cc(F)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 2/20 0.34
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PPM1A P35813 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TSHR P16473 3/20 0.33
NR3C1 P04150 1/20 0.32

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
SCHEMBL18908259 0.83 NR3C1 (0.39) NPSR1NR3C1
SCHEMBL18908256 0.81 NPSR1 (0.40) NPSR1FAAHTAS1R3TAS1R1TSHR
SCHEMBL19292776 0.80 KDM4E (0.41) KDM4E
SCHEMBL18908288 0.75 KCNH2 (0.32) NPSR1FAAHMEN1KMT2AKCNH2
SCHEMBL18908266 0.75 KCNH2 (0.32) NPSR1FAAHMEN1KMT2AKCNH2
SCHEMBL20032417 0.73 KDM4E (0.44) ADRA2AADRA1AKDM4E
SCHEMBL26394016 0.71 KDM4E (0.43) KDM4ETSHR
SCHEMBL11457685 0.70 HDAC3 (0.42) ADRA2AADRA1A
SCHEMBL16737884 0.70 HTR2A (0.40) NPSR1ADRA2AADRA1AKDM4E
SCHEMBL21816552 0.70 ADRA1A (0.50) ADRA2AADRA1ATSHR

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-20170166584-A1 TRIAZOLE 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 (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 NPSR1 4556/4885FAAH 1025/4885ADRA2A 3686/4885

“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.