SCHEMBL18288356

SCHEMBL18288356

C=C(N1CCCC1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MLYCD O95822 1/20 0.36
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HIF1A Q16665 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
SCHEMBL22368188 0.97 ALDH1A1 (0.42) ALDH1A1MLYCDHPGDMAPTKDM4E
SCHEMBL15076114 0.79 ALDH1A1 (0.35) ALDH1A1MLYCDHPGDMAPTKDM4E
SCHEMBL18288344 0.77 MEN1 (0.41) ALDH1A1MLYCDMAPTTP53CA2
SCHEMBL18288361 0.77
SCHEMBL20175823 0.77 CYP1A2 (0.41) ALDH1A1HPGDCYP1A2ALOX15LMNA
SCHEMBL18602166 0.74 PHGDH (0.42) ALDH1A1HPGDMAPTCYP1A2CYP2C9
SCHEMBL5773987 0.72 ALDH1A1 (0.38) ALDH1A1HPGDMAPTKDM4ETP53
SCHEMBL12935890 0.70 ALDH1A1 (0.42) ALDH1A1HPGDMAPTKDM4ETP53
SCHEMBL23660963 0.69 MLYCD (0.38) ALDH1A1MLYCDHPGDMAPTKDM4E
SCHEMBL25171691 0.69 ALDH1A1 (0.35) ALDH1A1HPGDMAPTKDM4ETP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303435-B1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES CO (US) 2020-11-25 EP disclosed
US-10738001-B2 Hydrofluoroolefins and methods of using same 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-08-11 US disclosed
US-20180141893-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-05-24 US disclosed
US-20180141893-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-05-24 US disclosed
WO-2016196240-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-12-08 WO 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 (2 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 ALDH1A1 1332/4885MLYCD 3403/4885HPGD 1021/4885
US-10738001-B2 Hydrofluoroolefins and methods of using same RFC3, RFC2, RFC1 ALDH1A1 1332/4885MLYCD 3403/4885HPGD 1021/4885

“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.