SCHEMBL20176529

SCHEMBL20176529

C=C(C)C(C)(F)C(F)N1CC(C)OC(C)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
PDK1 Q15118 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
SCHEMBL20176552 0.81
SCHEMBL20176530 0.75 ALDH1A1 (0.35) ALDH1A1KDM4EGAACYP2C9HPGD
SCHEMBL20176518 0.73
SCHEMBL20176521 0.72 ALDH1A1 (0.36) ALDH1A1KDM4EGAACYP2C9HPGD
SCHEMBL20176554 0.72 CYP3A4 (0.31) CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL20176525 0.72
SCHEMBL20176528 0.72
SCHEMBL20176507 0.70
SCHEMBL27442222 0.67 ALDH1A1 (0.32) ALDH1A1L3MBTL1
SCHEMBL18293466 0.67

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 ALDH1A1 1557/4885KDM4E 4433/4885GAA 3749/4885

“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.