SCHEMBL4089161

SCHEMBL4089161

OCCCCCCCCCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
TAAR1 Q96RJ0 1/20 0.53
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
PTPN11 Q06124 1/20 0.50
CA2 P00918 2/20 0.49
GAA P10253 1/20 0.48
MAOB P27338 1/20 0.47
MIF P14174 1/20 0.44
FDFT1 P37268 2/20 0.44
P2RY14 Q15391 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
IDO1 P14902 2/20 0.42

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
SCHEMBL23176839 1.00 HDAC1 (0.56) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL1079525 1.00 HDAC1 (0.56) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL1047276 1.00 HDAC1 (0.56) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL2957360 0.98 HDAC1 (0.57) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL2653733 0.94 MAOB (0.56) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL2652794 0.94 MAOB (0.56) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL2652908 0.92 MAOB (0.58) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL81840 0.92 TAAR1 (0.57) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL6022637 0.90 HDAC1 (0.51) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL2653224 0.86 MAOB (0.59) HDAC1HDAC8TAAR1PTPN2PTPN1

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-20090197201-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 US disclosed
US-20090197201-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 US disclosed
US-20090197201-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 US disclosed
EP-2035129-A1 FLUOROSURFACTANTS Merck Patent GmbH (DE) 2009-03-18 EP disclosed
WO-2008003443-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2008-01-10 WO disclosed
WO-2008003443-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2008-01-10 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 (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-20090197201-A1 FLUOROSURFACTANTS CBR3, SCO2, FPR3 HDAC1 4029/4885HDAC8 4218/4885TAAR1 1281/4885

“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.