SCHEMBL18907013

SCHEMBL18907013

CC[C@H](OC(C)C)c1cc(F)ccc1OCC1COC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.36
HTR2B P41595 4/20 0.36
HTR2A P28223 4/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
GRM5 P41594 1/20 0.33
RBP4 P02753 1/20 0.32
MGLL Q99685 1/20 0.32
KMT2A Q03164 1/20 0.32
JAK2 O60674 1/20 0.31
NTRK1 P04629 2/20 0.31
NTRK3 Q16288 2/20 0.31
NTRK2 Q16620 2/20 0.31
FFAR1 O14842 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
SCHEMBL21231884 0.91 HTR2C (0.34) HTR2CHTR2BHTR2AIRAK4GRM5
SCHEMBL18907020 0.89 HTR2A (0.36) HTR2CHTR2BHTR2AIRAK4GRM5
SCHEMBL18907906 0.83 HTR2A (0.41) HTR2CHTR2BHTR2AIRAK4GRM5
SCHEMBL18909751 0.76 KDM4E (0.39) HTR2CHTR2A
SCHEMBL18908169 0.76 KCNH2 (0.39) HTR2CHTR2BHTR2AKMT2A
SCHEMBL18908181 0.76 L3MBTL1 (0.36) HTR2CHTR2BHTR2AJAK2
SCHEMBL18907926 0.74 ALDH1A1 (0.45) HTR2CHTR2BHTR2AGRM5RBP4
SCHEMBL17111325 0.74 DRD4 (0.46) HTR2CHTR2BHTR2AFFAR1
SCHEMBL22479944 0.71 HTR2A (0.50) HTR2CHTR2BHTR2ARBP4
SCHEMBL31710828 0.71 PKM (0.49) HTR2CHTR2BHTR2AGRM5RBP4

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 HTR2C 4420/4885HTR2B 4786/4885HTR2A 4785/4885

“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.