SCHEMBL16658462

SCHEMBL16658462

CCOC(F)(F)C(C)(F)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
MMP8 P22894 1/20 0.30
PKM P14618 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
SCHEMBL16658461 0.83 CYP4F2 (0.39) ALDH1A1SMN1; SMN2LMNAMMP8PKM
SCHEMBL16663581 0.78 ALDH1A1 (0.33) ALDH1A1LMNAGAA
SCHEMBL16658459 0.78 TSHR (0.32) ALDH1A1LMNA
SCHEMBL7560874 0.76 KMT2A (0.35) DGAT1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL445544 0.73 DGAT1 (0.39) DGAT1ALDH1A1HTTSMN1; SMN2CA2
SCHEMBL17358987 0.73 DGAT1 (0.39) DGAT1ALDH1A1HTTCA1CA2
SCHEMBL11659311 0.72 LMNA (0.36) DGAT1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL12761004 0.72 DGAT1 (0.42) DGAT1ALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL15951338 0.70 MGAM (0.36) DGAT1ALDH1A1HTTLMNAMGAM
SCHEMBL27972010 0.70 DGAT1 (0.37) DGAT1ALDH1A1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150112036-A1 PARTIALLY FLUORINATED POLYMERS E I DU PONT DE NEMOURS AND COMPANY (US) 2015-04-23 US disclosed
US-20150112095-A1 PARTIALLY FLUORINATED ALCOHOLS AND DERIVATIVES E I DU PONT DE NEMOURS AND COMPANY (DE) 2015-04-23 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-20150112095-A1 PARTIALLY FLUORINATED ALCOHOLS AND DERIVATIVES ADH1C, ADH1A, AFF1 DGAT1 580/4885ALDH1A1 126/4885HTT 3432/4885

“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.