SCHEMBL16658459

SCHEMBL16658459

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

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HDAC4 P56524 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 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
SCHEMBL16663581 0.82 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL4320538 0.79 ACLY (0.37) ALDH1A1HDAC4HDAC6
SCHEMBL16658461 0.78 CYP4F2 (0.39) TSHRALDH1A1LMNAPOLBNPSR1
SCHEMBL16658462 0.78 DGAT1 (0.34) ALDH1A1LMNA
SCHEMBL9017248 0.73
SCHEMBL7942800 0.71
SCHEMBL11185102 0.71
SCHEMBL26380 0.70 ALDH1A1 (0.38) TSHRALDH1A1LMNACYP2D6CYP2C19
SCHEMBL5947966 0.70 ALDH1A1 (0.38) TSHRALDH1A1LMNACYP2D6CYP2C19
SCHEMBL642729 0.70

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-20150112095-A1 PARTIALLY FLUORINATED ALCOHOLS AND DERIVATIVES E I DU PONT DE NEMOURS AND COMPANY (DE) 2015-04-23 US disclosed
US-20150112036-A1 PARTIALLY FLUORINATED POLYMERS E I DU PONT DE NEMOURS AND COMPANY (US) 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 TSHR 641/4885ALDH1A1 126/4885LMNA 1547/4885

“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.