SCHEMBL26081071

SCHEMBL26081071

OC1(Cc2ccc(F)cc2F)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TRPA1 O75762 1/20 0.44
GRIN2B Q13224 4/20 0.43
HTR2A P28223 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
DRD4 P21917 1/20 0.38
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL26081050 0.83 CYP3A4 (0.43) USP2TSHR
SCHEMBL10192218 0.83 FPR2 (0.48) USP2TSHRSLC6A4SLC6A3
SCHEMBL10192232 0.83 FPR2 (0.48) USP2TSHRSLC6A4SLC6A3
SCHEMBL19030449 0.83 GRIN2B (0.42) KDM4ESMN1; SMN2TRPA1GRIN2BHTR2A
SCHEMBL7296016 0.83 GRIN2B (0.42) KDM4ESMN1; SMN2TRPA1GRIN2BHTR2A
Hydrochloric Acid SCHEMBL14840535 0.82 GRIN2B (0.41) KDM4ESMN1; SMN2TRPA1GRIN2BHTR2A
SCHEMBL26081072 0.81 KDM4E (0.49) KDM4ESMN1; SMN2TRPA1HTR2AMEN1
SCHEMBL26081049 0.80 RORC (0.38) TRPA1HTR2AUSP2TSHR
SCHEMBL28240932 0.79 GRIN2B (0.43) KDM4ESMN1; SMN2TRPA1GRIN2BHTR2A
SCHEMBL10192225 0.79 ALDH1A1 (0.44) GRIN2BMEN1KMT2AIDO1USP2

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 KDM4E 1884/4885SMN1; SMN2 431/4885TRPA1 3975/4885

“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.