SCHEMBL449111

SCHEMBL449111

O=C1c2cc3ccccc3cc2C(=O)c2cc3cc(C(F)(F)C(F)(F)F)ccc3cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.45
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PLA2G1B P04054 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GSTP1 P09211 1/20 0.35
ABCC9 O60706 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
SCHEMBL447064 0.85 PTPN1 (0.48) PTPN1ALDH1A1MEN1KMT2AALOX15
SCHEMBL18936186 0.83 PTPN1 (0.55) PTPN1ALDH1A1ALOX12HSD17B10KIF11
SCHEMBL16439916 0.83 PTPN1 (0.55) PTPN1ALDH1A1ALOX12HSD17B10KIF11
SCHEMBL9243671 0.75 NPC1 (0.55) PTPN1NPC1RAB9ACASP3SENP8
SCHEMBL10057987 0.74 MEN1 (0.50) NPC1RAB9AALDH1A1PLA2G1BL3MBTL1
SCHEMBL54876 0.74 MEN1 (0.50) NPC1RAB9AALDH1A1PLA2G1BL3MBTL1
SCHEMBL2516264 0.74 MEN1 (0.50) NPC1RAB9AALDH1A1PLA2G1BL3MBTL1
SCHEMBL30130196 0.74 MEN1 (0.56) NPC1RAB9AALDH1A1PLA2G1BL3MBTL1
SCHEMBL354514 0.74 MEN1 (0.56) NPC1RAB9AALDH1A1PLA2G1BL3MBTL1
SCHEMBL29364188 0.74 MEN1 (0.56) NPC1RAB9AALDH1A1PLA2G1BL3MBTL1

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
EP-2435446-B1 FLUORINATED SILYLETHYNYL PENTACENE COMPOUNDS AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2016-11-30 EP disclosed
US-8920679-B2 Fluorinated silylethynyl pentacene compounds and compositions and methods of making and using the same 3M INNOVATIVE PROPERTIES CO. (US) 2014-12-30 US disclosed
US-20120061620-A1 Fluorinated Silyethynyl Pentacene Compounds and Compositions and Methods of Making and Using the Same 3M INNOVATIVE PROPERTIES COMPANY 2012-03-15 US disclosed
WO-2010138807-A1 FLUORINATED SILYLETHYNYL PENTACENE COMPOUNDS AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-12-02 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-20120061620-A1 Fluorinated Silyethynyl Pentacene Compounds and Compositions and Methods of Making and Using the Same PFAS, FLNB, FLNA PTPN1 4062/4885NPC1 674/4885RAB9A 908/4885

“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.