SCHEMBL18907014

SCHEMBL18907014

CC[C@H](OCCOC)c1cc(F)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.38
HTR2A P28223 3/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
HTR2C P28335 2/20 0.34
NFE2L2 Q16236 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
HTR2B P41595 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 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
SCHEMBL18971798 0.92 SMN1; SMN2 (0.39) USP2SMN1; SMN2KDM4EHTR2AHTR1A
SCHEMBL18909761 0.89 USP2 (0.39) USP2SMN1; SMN2KDM4EHTR2AHTR2C
SCHEMBL18908175 0.87 KCNH2 (0.38) USP2SMN1; SMN2KDM4EHTR2AHTR1A
SCHEMBL28629604 0.87 USP2 (0.40) USP2SMN1; SMN2KDM4EHTR2AHTR2C
SCHEMBL18820640 0.87 USP2 (0.40) USP2SMN1; SMN2KDM4EHTR2AHTR2C
SCHEMBL18964398 0.86 KDM4E (0.40) USP2SMN1; SMN2KDM4EHTR2AHTR1A
SCHEMBL18907023 0.86 USP2 (0.39) USP2SMN1; SMN2KDM4EHTR2AHTR2C
SCHEMBL18907018 0.85 HTR7 (0.38) KDM4EHTR2AHTR7HTR6HTR2C
SCHEMBL18971807 0.83 CASP1 (0.35) USP2SMN1; SMN2KDM4EHTR2AHTR1A
SCHEMBL18972008 0.82 KDM4E (0.38) SMN1; SMN2KDM4EHTR2AHTR1ADRD2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3380478-B1 ESTER ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2020-12-23 EP disclosed
US-20170166582-A1 PYRAZOLE 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
US-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
WO-2017091602-A1 ESTER ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 WO 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 (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 USP2 1206/4885SMN1; SMN2 4777/4885KDM4E 1195/4885
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, PC USP2 2566/4885SMN1; SMN2 4852/4885KDM4E 2522/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 USP2 1741/4885SMN1; SMN2 4866/4885KDM4E 2407/4885

“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.