SCHEMBL20176554

SCHEMBL20176554

C=C(C)C(C)(F)C(F)N1CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.31
HIF1A Q16665 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNA5 P22460 1/20 0.30
MAPT P10636 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL18293480 0.84 SMN1; SMN2 (0.31) CYP3A4SMN1; SMN2KCNA5MAPTCYP2D6
SCHEMBL20176518 0.83
SCHEMBL20176525 0.81
SCHEMBL20176528 0.81
SCHEMBL18293459 0.81
SCHEMBL22755377 0.81
SCHEMBL20176507 0.80
SCHEMBL20176519 0.73 USP2 (0.30) SMN1; SMN2
SCHEMBL20176529 0.72 ALDH1A1 (0.37) SMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL22563112 0.72 KCNA5 (0.31) KCNA5

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-20180141887-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-20180141887-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME RFT1, AFF1, RFC3 CYP3A4 3605/4885HIF1A 1250/4885SMN1; SMN2 594/4885

“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.