Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4397272

NCCNC(=O)CCC(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
KDM5C P41229 3/20 0.42
PHF8 Q9UPP1 3/20 0.42
KDM2A Q9Y2K7 3/20 0.42
EGLN1 Q9GZT9 2/20 0.39
KDM6B O15054 1/20 0.39
FOLH1 Q04609 1/20 0.39
HTT P42858 1/20 0.38
ECE1 P42892 1/20 0.37
LMNA P02545 2/20 0.37
NPY1R P25929 2/20 0.36
NPY4R P50391 1/20 0.36
KMT2A Q03164 2/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
GABRR1 P24046 2/20 0.35

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
SCHEMBL766363 0.88 PHF8 (0.52) KDM4EKDM5CPHF8KDM2AEGLN1
Trifluoroacetic Acid SCHEMBL4388146 0.84 NPY1R (0.40) KDM4EKDM5CPHF8KDM2AEGLN1
Trifluoroacetic Acid SCHEMBL23355106 0.84 TSHR (0.35) KDM4EKDM5CPHF8KDM2AEGLN1
Trifluoroacetic Acid SCHEMBL28211650 0.81 MMP2 (0.38) LMNANPY1RNPY4RALDH1A1HDAC6
SCHEMBL24893151 0.81 PHF8 (0.45) KDM4EKDM5CPHF8KDM2AEGLN1
SCHEMBL38654455 0.79 ALDH1A1 (0.42) KDM4ELMNAKMT2AALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL18261253 0.79 HDAC6 (0.34) NPY1RNPY4RKMT2AALDH1A1HDAC6
Trifluoroacetic Acid SCHEMBL29896420 0.79 CA12 (0.40) KDM4EKDM5CPHF8KDM2AEGLN1
SCHEMBL490860 0.79 KDM4E (0.46) KDM4EKDM5CPHF8KDM2AEGLN1
SCHEMBL9999327 0.79 KDM4E (0.46) KDM4EKDM5CPHF8KDM2AEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120308646-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ZHANG HESHENG (CN) 2012-12-06 US disclosed
US-20090325894-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ZHANG HESHENG 2009-12-31 US disclosed
EP-2123283-A1 THE TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER EFFECT Tianjin Hemey Bio-Tech Co., Ltd. (CN) 2009-11-25 EP 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-20090325894-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES GLS2, GLS, VIP KDM4E 4614/4885KDM5C 4209/4885PHF8 4599/4885
US-20120308646-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ALAD, SLC27A2, ANTXR2 KDM4E 3405/4885KDM5C 3199/4885PHF8 3764/4885

“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.