SCHEMBL22933100

SCHEMBL22933100

CCC(CC)c1cccc(Cl)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.50
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
PNMT P11086 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
NISCH Q9Y2I1 1/20 0.34
KCNH2 Q12809 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
AOC3 Q16853 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 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
SCHEMBL22256520 0.82 CFD (0.49) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL30140001 0.81 CFD (0.64) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL15915397 0.81 CFD (0.47) CFDCYP2D6NFKB1LMNAKCNH2
SCHEMBL30148348 0.81 CFD (0.64) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL2632878 0.79 PNMT (0.55) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL12188919 0.79 CES2 (0.42) CFDADRB1
SCHEMBL2632968 0.79 NISCH (0.47) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL8216990 0.77 CFD (0.50) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL22792362 0.76 ADRB1 (0.32) ADRB1
SCHEMBL22230493 0.75 MEN1 (0.46) CFDTAS1R3TAS1R1TAS1R2

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-20210032233-A1 Inhibitors of Beta-Hydroxylase for Treatment of Cancer MIDWESTERN UNIVERSITY 2021-02-04 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-20210032233-A1 Inhibitors of Beta-Hydroxylase for Treatment of Cancer ASPH, CYP46A1, ALDH7A1 CFD 4656/4885CYP1A2 82/4885CYP3A4 269/4885

“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.