SCHEMBL3140737

SCHEMBL3140737

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LDHA P00338 3/20 0.40
LDHB P07195 3/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AGBL2 Q5U5Z8 1/20 0.39
MAPT P10636 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
NOTUM Q6P988 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
DHODH Q02127 3/20 0.35
GLRA3 O75311 1/20 0.35
GLRB P48167 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL3141897 0.86 AGBL2 (0.34) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL5356876 0.83 CYP3A4 (0.35) CYP3A4ACHESMN1; SMN2AGBL2RXRA
SCHEMBL18896446 0.83 CYP3A4 (0.44) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL422352 0.83 RXRA (0.51) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL15957693 0.82 CYP3A4 (0.42) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL4060815 0.82 POLB (0.43) CYP3A4ALDH1A1KDM4EL3MBTL1AGBL2
SCHEMBL3138059 0.79 CYP3A4 (0.49) CYP3A4ACHEALDH1A1KDM4EMAPT
SCHEMBL3142173 0.79 PTPN1 (0.35) KDM4EL3MBTL1AGBL2DHODHGLRA3
SCHEMBL28114010 0.79 CYP3A4 (0.41) CYP3A4ALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL4642911 0.78 CYP3A4 (0.50) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466180-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-06-18 US disclosed
US-8466180-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-06-18 US disclosed
US-8466180-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-06-18 US disclosed
US-20100076078-A1 INSECTICIDAL COMPOUNDS SYNGENTA CORP PROTECTION, INC. (US) 2010-03-25 US disclosed
US-20100076078-A1 INSECTICIDAL COMPOUNDS SYNGENTA CORP PROTECTION, INC. (US) 2010-03-25 US disclosed
CN-101578260-A Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2009-11-11 CN disclosed
EP-2069287-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-06-17 EP disclosed
WO-2008031534-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-03-20 WO disclosed
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 (3 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 CYP3A4 223/4885ACHE 3978/4885ALDH1A1 1079/4885
US-20100076078-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 CYP3A4 290/4885ACHE 1/4885ALDH1A1 95/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 CYP3A4 197/4885ACHE 3516/4885ALDH1A1 2953/4885

“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.