SCHEMBL18908288

SCHEMBL18908288

CCCCOCC(C)CO[C@@H](CO)c1cc(F)ccc1OC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
FAAH O00519 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AGTR1 P30556 1/20 0.31
CYP1A2 P05177 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
NR1I2 O75469 1/20 0.31

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
SCHEMBL18908266 1.00 KCNH2 (0.32) KCNH2TMEM97SIGMAR1FAAHSMN1; SMN2
SCHEMBL18908287 0.85 SMN1; SMN2 (0.34) FAAHSMN1; SMN2NPSR1LMNAMAPT
SCHEMBL18908273 0.81 ALDH1A1 (0.39) SMN1; SMN2LMNAKMT2AHTR2AHTR2C
SCHEMBL18908296 0.81 ALDH1A1 (0.39) SMN1; SMN2LMNAKMT2AHTR2AHTR2C
SCHEMBL19361587 0.81 HTR2A (0.36) KCNH2TMEM97SIGMAR1SMN1; SMN2LMNA
SCHEMBL19361586 0.78 KDM4E (0.38) MAPTHTR2AHTR2C
SCHEMBL18972020 0.77 SLC6A2 (0.41) NPSR1MEN1KMT2A
SCHEMBL18821185 0.77 KCNH2 (0.38) KCNH2TMEM97SIGMAR1SMN1; SMN2HTR2A
SCHEMBL19361582 0.76 USP2 (0.39) SMN1; SMN2LMNAMEN1KMT2ACYP1A2
SCHEMBL18820640 0.76 USP2 (0.40) KCNH2TMEM97SIGMAR1SMN1; SMN2LMNA

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 KCNH2 4441/4885TMEM97 4016/4885SIGMAR1 4601/4885

“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.