SCHEMBL3473015

SCHEMBL3473015

O=C(O)CCCCCP(=O)(O)OS

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
LMNA P02545 3/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 1/20 0.46
GPR84 Q9NQS5 7/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
FOLH1 Q04609 1/20 0.43
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
FABP4 P15090 2/20 0.41

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
SCHEMBL3471394 0.91 LMNA (0.43) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL5060575 0.85 GRM8 (0.38) TSHRLMNAFOLH1KMT2ATDP1
SCHEMBL3485787 0.79 ALDH1A1 (0.57) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL7172938 0.79 TSHR (0.50) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL6310930 0.79 TSHR (0.50) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL6303631 0.78 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL4531743 0.78 TSHR (0.60) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL2519566 0.78 TSHR (0.60) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL4536540 0.78 TSHR (0.60) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL2939530 0.78 TSHR (0.60) TSHRLMNANFKB1PMP22ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125029-B1 CONSTRUCTION AND USE OF TRANSFECTION ENHANCER ELEMENTS LIPOCALYX GMBH (DE) 2016-10-12 EP disclosed
US-20130011916-A1 CONSTRUCTION AND USE OF TRANSFECTION ENHANCER ELEMENTS LIPOCALYX GMBH (DE) 2013-01-10 US disclosed
US-20100022621-A1 CONSTRUCTION AND USE OF TRANSFECTION ENHANCER ELEMENTS MDRNA RESEARCH, INC. 2010-01-28 US disclosed
US-6943267-B1 compounds structurally resemble the substrates of the enzymes, but have nonhydrolyzable mono protonated thiophosphonate salts; chromatography or distillations not required UTAH STATE UNIVERSITY (US) 2005-09-13 US disclosed
US-20050049431-A1 Thiophosphonate inhibitors of phosphatase enzymes and metallophosphatases UTAH STATE UNIVERSITY 2005-03-03 US 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-20100022621-A1 CONSTRUCTION AND USE OF TRANSFECTION ENHANCER ELEMENTS TEAD4, CREB1, ELF3 TSHR 538/4885LMNA 315/4885NFKB1 1199/4885
US-20050049431-A1 Thiophosphonate inhibitors of phosphatase enzymes and metallophosphatases PPME1, MTMR1, PTPRE TSHR 1052/4885LMNA 4637/4885NFKB1 3650/4885
US-20130011916-A1 CONSTRUCTION AND USE OF TRANSFECTION ENHANCER ELEMENTS TEAD4, CREB1, ELF3 TSHR 538/4885LMNA 315/4885NFKB1 1199/4885

“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.