SCHEMBL26081050

SCHEMBL26081050

OC1(Cc2ccc(Br)cc2F)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
PYCR1 P32322 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM1A O60341 1/20 0.36
PDPK1 O15530 1/20 0.35
P2RX7 Q99572 1/20 0.35
AKR1B1 P15121 1/20 0.35
FPR2 P25090 8/20 0.35
FPR3 P25089 6/20 0.35
NAAA Q02083 1/20 0.35
HPD P32754 1/20 0.34
DGAT1 O75907 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34

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
SCHEMBL26081071 0.83 KDM4E (0.47) USP2TSHR
SCHEMBL10192218 0.81 FPR2 (0.48) USP2TSHRP2RX7FPR2PROKR1
SCHEMBL10192232 0.81 FPR2 (0.48) USP2TSHRP2RX7FPR2PROKR1
SCHEMBL26081049 0.77 RORC (0.38) USP2TSHRP2RX7
SCHEMBL10192225 0.76 ALDH1A1 (0.44) USP2TSHR
SCHEMBL10191864 0.76 ALDH1A1 (0.44) USP2TSHR
SCHEMBL18229254 0.72 DGAT1 (0.46) CYP3A4CYP2C9CYP2C19PYCR1PDPK1
SCHEMBL1773425 0.72 GRIN2D (0.48) USP2TSHR
SCHEMBL17997260 0.71 DGAT1 (0.37) CYP3A4CYP2C9CYP2C19L3MBTL1KDM1A
SCHEMBL3635802 0.69 DGAT1 (0.38) CYP3A4CYP2C9CYP2C19L3MBTL1KDM1A

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 CYP3A4 26/4885CYP2C9 35/4885CYP2C19 33/4885

“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.