SCHEMBL1707421

SCHEMBL1707421

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
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
SCHEMBL1706891 0.82 CHRM1 (0.34) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL5936811 0.75 CHRM1 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11460744 0.73 LMNA (0.36) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL1706470 0.73 MAPT (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1707201 0.73 LMNA (0.36) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL1706457 0.72
SCHEMBL28221463 0.71 CYP2D6 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4822731 0.71
SCHEMBL4824001 0.71
SCHEMBL2950232 0.71

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 6 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
CN-102695503-A Halogenated aliphatic carboxylic acids, oligomers and/or polymers thereof and their use for inactivating external and internal neoplasias MARDI MEDICINES LTD 2012-09-26 CN 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 LMNA 3617/4885CHRM1 2072/4885AKR1A1 1744/4885
US-20110052641-A1 HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS CCR10, PBK, CCR3 LMNA 3617/4885CHRM1 2072/4885AKR1A1 1744/4885

“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.