SCHEMBL18972008

SCHEMBL18972008

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
ALK Q9UM73 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NFE2L2 Q16236 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KCNH2 Q12809 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
SCHEMBL18914373 0.89 ADRA2A (0.36) KDM4EHTR2AHTR2CSLC6A4SLC6A2
SCHEMBL18908172 0.89 ADRA2A (0.36) KDM4EHTR2AHTR2CSLC6A4SLC6A2
SCHEMBL18959750 0.88 HTR2A (0.37) KDM4EHTR2AHTR2CSLC6A4SLC6A2
SCHEMBL19361587 0.87 HTR2A (0.36) KDM4EHTR2AHTR2CSLC6A4SLC6A2
SCHEMBL18964398 0.86 KDM4E (0.40) KDM4EHTR2AHTR2CSLC6A4SLC6A2
SCHEMBL18909765 0.83 CA1 (0.41) SLC6A4
SCHEMBL18907014 0.82 USP2 (0.41) KDM4EHTR2AHTR2CSLC6A4SLC6A2
SCHEMBL18909751 0.82 KDM4E (0.39) KDM4EHTR2AHTR2CSLC6A4SLC6A2
SCHEMBL18908175 0.81 KCNH2 (0.38) KDM4EHTR2AHTR2CHTR1ADRD2
SCHEMBL18971798 0.80 SMN1; SMN2 (0.39) KDM4EHTR2AHTR2CSLC6A4SLC6A2

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 1 patent. 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

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 KDM4E 2407/4885HTR2A 4785/4885HTR2C 4420/4885

“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.