SCHEMBL1706439

SCHEMBL1706439

CCC(F)C(Cl)(Cl)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 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
SCHEMBL1707242 0.82 CHRM1 (0.39) ALDH1A1TP53TSHRMAPT
SCHEMBL1707416 0.79 ALDH1A1 (0.33) ALDH1A1TP53TSHR
SCHEMBL1707381 0.73 LMNA (0.36) ALDH1A1TP53TSHR
SCHEMBL1706440 0.73 MAPT (0.31) MAPT
SCHEMBL1707211 0.72
Bicarbonate SCHEMBL29090084 0.70 MAPT (0.32) MAPT
SCHEMBL10469608 0.67 ACHE (0.32)
SCHEMBL1707246 0.67 CHRM1 (0.38) ALDH1A1TP53TSHRMAPT
SCHEMBL29263772 0.67 THRB (0.41)
SCHEMBL9744926 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9283199-B2 Halogenated aliphatic carboxylic acids, oligomers and/or polymers thereof and their use in devitalizing external and internal neoplasms CIMAS LIMITED (CY) 2016-03-15 US disclosed
US-20160067198-A1 HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS CIMAS LIMITED (CY) 2016-03-10 US disclosed
EP-2440198-A2 HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS Mardi Medicines Ltd. (IL) 2012-04-18 EP disclosed
US-20110052641-A1 HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS MARDI MEDICINES LTD. (IL) 2011-03-03 US disclosed
WO-2010143188-A2 HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS MARDI MEDICINES LTD. (IL) 2010-12-16 WO 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-20160067198-A1 HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS CCR10, PBK, CCR3 ALDH1A1 1008/4885TP53 48/4885TSHR 1662/4885
US-20110052641-A1 HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS CCR10, PBK, CCR3 ALDH1A1 1008/4885TP53 48/4885TSHR 1662/4885

“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.