SCHEMBL5354014

SCHEMBL5354014

Cc1cc(C(=O)O)ccc1C(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
MYC P01106 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 1/20 0.45
PTPN7 P35236 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
GRM1 Q13255 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CA2 P00918 3/20 0.41
KDM4E B2RXH2 2/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39

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
SCHEMBL5368194 0.86 KIF11 (0.45) ALDH1A1CA2HPGDPDK2HTT
SCHEMBL30182007 0.85 TSHR (0.47) TSHRMYCESR1ALOX15PTPN7
SCHEMBL312837 0.85 TSHR (0.47) TSHRMYCESR1ALOX15PTPN7
SCHEMBL18275139 0.84 TSHR (0.44) TSHRMYCESR1ALOX15PTPN7
SCHEMBL5355749 0.84 PARP1 (0.42) HSD17B10KMT2AALDH1A1SMN1; SMN2CA2
SCHEMBL5369308 0.84 CA2 (0.40) TSHRMYCESR1ALOX15PTPN7
SCHEMBL5361981 0.81 NOTUM (0.56) ALOX15HSD17B10TDP1MEN1KMT2A
SCHEMBL5360083 0.80 LMNA (0.47) TSHRHSD17B10SMN1; SMN2CA2KDM4E
SCHEMBL5214177 0.79 EPHX2 (0.49) TSHRMYCESR1ALOX15PTPN7
SCHEMBL11893915 0.78 ACE2 (0.54) TSHRMYCESR1ALOX15PTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169955-B2 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2007-01-30 US disclosed
US-20050113567-A1 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2005-05-26 US disclosed
US-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE NIHON NOHYAKU CO., LTD. (JP) 2003-10-02 US disclosed
EP-1253128-A1 PERFLUOROISOPROPYLBENZENE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2002-10-30 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-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE AFF1, CBR1, RER1 TSHR 232/4885MYC 3639/4885ESR1 1830/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 TSHR 60/4885MYC 2366/4885ESR1 361/4885

“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.