SCHEMBL26081073

SCHEMBL26081073

OC1(Cc2cc(F)cc(F)c2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
SLC6A3 Q01959 5/20 0.37
SLC6A4 P31645 4/20 0.37
METAP2 P50579 2/20 0.36
IDO1 P14902 2/20 0.33
DRD4 P21917 1/20 0.33
HSD11B1 P28845 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
RIPK1 Q13546 1/20 0.31
TRPA1 O75762 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
SCHEMBL14337907 0.80 TRPA1 (0.44) USP2TSHRSLC6A3SLC6A4HSD11B1
SCHEMBL26081074 0.78 SLC6A3 (0.38) SLC6A3SLC6A4METAP2IDO1
SCHEMBL23365166 0.74 CYP46A1 (0.45) METAP2
SCHEMBL15188013 0.73 KMT2A (0.39) USP2TSHR
SCHEMBL15168718 0.73 TACR1 (0.41) USP2TSHRSLC6A4IDO1
SCHEMBL2192517 0.71 OPRL1 (0.54) USP2TSHR
SCHEMBL2346342 0.71 OPRL1 (0.54) USP2TSHR
SCHEMBL2192474 0.71 OPRL1 (0.54) USP2TSHR
SCHEMBL26081071 0.71 KDM4E (0.47) USP2TSHRSLC6A3SLC6A4IDO1
SCHEMBL12345530 0.69 ESR1 (0.47) USP2TSHR

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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 USP2 1918/4885TSHR 4693/4885SLC6A3 657/4885

“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.