SCHEMBL18907694

SCHEMBL18907694

CCCCOc1ccc(F)cc1[C@H](CO)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.38
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP2D6 P10635 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP19A1 P11511 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
PPM1A P35813 1/20 0.34
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HTR2A P28223 1/20 0.33
PPARA Q07869 2/20 0.33
PPARD Q03181 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL18907693 1.00 FAAH (0.38) FAAHCYP1A2CYP2C19L3MBTL1CYP2D6
SCHEMBL19361580 0.87 KCNH2 (0.34) CYP1A2CYP2C19L3MBTL1CYP2D6TDP1
SCHEMBL18908169 0.83 KCNH2 (0.39) FAAHCYP1A2CYP2C19L3MBTL1CYP2D6
SCHEMBL18907696 0.82 FAAH (0.38) FAAHL3MBTL1TDP1CYSLTR2CYSLTR1
SCHEMBL18821415 0.82 FAAH (0.36) FAAHCYP1A2CYP2C19L3MBTL1CYP2D6
SCHEMBL18821010 0.82 FAAH (0.36) FAAHCYP1A2CYP2C19L3MBTL1CYP2D6
SCHEMBL17868304 0.82 HTR2A (0.38) CYP2D6HTR2CHTR2APPARAPPARD
SCHEMBL18914274 0.82 HTR2A (0.38) CYP2D6HTR2CHTR2APPARAPPARD
SCHEMBL18907703 0.80 SLC6A9 (0.42) L3MBTL1TDP1
SCHEMBL18907708 0.80 SLC6A9 (0.42) L3MBTL1TDP1

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 FAAH 1025/4885CYP1A2 385/4885CYP2C19 533/4885

“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.