SCHEMBL2098448

SCHEMBL2098448

O=C(O)CCCCCO[PH](=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TSHR P16473 5/20 0.52
LMNA P02545 3/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
GPR84 Q9NQS5 8/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
PPARG P37231 7/20 0.43
PPARD Q03181 7/20 0.43
PPARA Q07869 7/20 0.43
HDAC11 Q96DB2 5/20 0.43
PTPN1 P18031 3/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
FABP4 P15090 2/20 0.43
ALOX15 P16050 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43

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
SCHEMBL11472255 0.96 ALDH1A1 (0.48) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL4072647 0.91 LMNA (0.46) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL11480746 0.89 LMNA (0.43) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL2098447 0.84 ALDH1A1 (0.56) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL17061016 0.83 LPAR3 (0.32)
SCHEMBL2467729 0.83 LPAR3 (0.32)
SCHEMBL1500471 0.83 LPAR3 (0.32)
SCHEMBL11744958 0.83 LPAR3 (0.32)
SCHEMBL2336974 0.82 LMNA (0.52) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL3073339 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163910-B2 Amide-substituted xanthene dyes ELITECH HOLDING B.V. (NL) 2012-04-24 US disclosed
US-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES EPOCH BIOSCIENCES, INC. (US) 2009-04-09 US disclosed
WO-2009046165-A1 AMIDE-SUBSTITUTED XANTHENE DYES EPOCH BIOSCIENCES, INC. (US) 2009-04-09 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-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES ANXA5, PHOSPHO1, TPST2 ALDH1A1 4277/4885TSHR 2157/4885LMNA 1616/4885

“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.