SCHEMBL2817613

SCHEMBL2817613

CCCCCCCCc1ccccc1O[PH](=O)Oc1ccccc1CCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55
PPARA Q07869 3/20 0.49
LIPG Q9Y5X9 1/20 0.49
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
ALOX5 P09917 1/20 0.47
PTGS2 P35354 1/20 0.47
PPARG P37231 2/20 0.47
GPR84 Q9NQS5 1/20 0.42
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42

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
SCHEMBL2818974 1.00 THRA (0.55) THRATHRBPPARALIPGNR1H2
SCHEMBL678038 1.00 THRA (0.55) THRATHRBPPARALIPGNR1H2
SCHEMBL10877179 0.98 THRA (0.54) THRATHRBPPARALIPGNR1H2
SCHEMBL29880199 0.98 THRA (0.54) THRATHRBPPARALIPGNR1H2
SCHEMBL10592927 0.98 THRA (0.52) THRATHRBPPARALIPGNR1H2
SCHEMBL2817841 0.93 THRA (0.47) THRATHRBPPARALIPGNR1H2
SCHEMBL2817615 0.89 THRA (0.57) THRATHRBPPARALIPGNR1H2
SCHEMBL678039 0.89 THRA (0.57) THRATHRBPPARALIPGNR1H2
SCHEMBL2818976 0.89 THRA (0.57) THRATHRBPPARALIPGNR1H2
SCHEMBL30111780 0.88 THRB (0.45) THRATHRBPPARALIPGNR1H2

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
US-8604233-B2 Lubricant composition, magnetic recording medium, and novel polyether compound FUJIFILM CORPORATION (JP) 2013-12-10 US disclosed
US-7812171-B2 Black pigment, black pigment dispersion and black resin composition comprising the same FUJIFILM CORPORATION (JP) 2010-10-12 US disclosed
US-20100247971-A1 LUBRICANT COMPOSITION, MAGNETIC RECORDING MEDIUM, AND NOVEL POLYETHER COMPOUND FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20080262237-A1 BLACK PIGMENT, BLACK PIGMENT DISPERSION AND BLACK RESIN COMPOSITION COMPRISING THE SAME FUJIFILM CORPORATION (JP) 2008-10-23 US disclosed
US-4739380-A Integrated ambient sensing devices and methods of manufacture INTEGRATED IONICS, INC. (US) 1988-04-19 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 (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-20100247971-A1 LUBRICANT COMPOSITION, MAGNETIC RECORDING MEDIUM, AND NOVEL POLYETHER COMPOUND MUC1, NEFM, CA13 THRA 3283/4885THRB 4279/4885PPARA 2180/4885
US-20080262237-A1 BLACK PIGMENT, BLACK PIGMENT DISPERSION AND BLACK RESIN COMPOSITION COMPRISING THE SAME DYNLL1, HNRNPL, AOX1 THRA 4295/4885THRB 4570/4885PPARA 2069/4885

“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.