SCHEMBL20175824

SCHEMBL20175824

CC(=C(F)F)N1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MGLL Q99685 2/20 0.41
PHGDH O43175 1/20 0.41
HTR1A P08908 1/20 0.35
ALDH1A1 P00352 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
HSD11B1 P28845 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
LMNA P02545 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
SCHEMBL18288367 0.78 ALDH1A1 (0.35) CYP1A2MGLLPHGDHALDH1A1CYP2C19
SCHEMBL18943083 0.76 CYP1A2 (0.46) CYP1A2TDP1MGLLPHGDHHTR1A
SCHEMBL22693864 0.76 ALDH1A1 (0.38) CYP1A2TDP1MGLLPHGDHALDH1A1
SCHEMBL27442062 0.74 CYP1A2 (0.50) CYP1A2TDP1MGLLPHGDHHTR1A
SCHEMBL19016209 0.74 CYP1A2 (0.50) CYP1A2TDP1MGLLPHGDHHTR1A
SCHEMBL18288348 0.72 SMN1; SMN2 (0.50) MGLLPHGDHALDH1A1MEN1KMT2A
SCHEMBL19016181 0.70 CYP1A2 (0.46) CYP1A2TDP1MGLLPHGDHHTR1A
SCHEMBL27463075 0.69 CYP1A2 (0.57) CYP1A2TDP1MGLLPHGDHHTR1A
SCHEMBL11243036 0.69 CYP1A2 (0.50) CYP1A2TDP1MGLLPHGDHHTR1A
SCHEMBL18942815 0.69 CYP1A2 (0.39) CYP1A2TDP1MGLLPHGDHHTR1A

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-20180141893-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-05-24 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-20180141893-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME RFC3, RFC2, RFC1 CYP1A2 1753/4885TDP1 2264/4885MGLL 2007/4885

“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.