SCHEMBL2817838

SCHEMBL2817838

CCCc1ccccc1O[PH](=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.43
HTR1A P08908 2/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
NISCH Q9Y2I1 1/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38

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
SCHEMBL2817843 0.89 THRA (0.49) PPARDTHRATHRBLTB4RLTB4R2
SCHEMBL10592933 0.88 THRA (0.55) THRATHRBLTB4RLTB4R2
SCHEMBL31491508 0.87 HTR1A (0.44) PPARDHTR1AADRA2AADRA2BADRA2C
SCHEMBL2817836 0.87 HTR1A (0.44) PPARDHTR1AADRA2AADRA2BADRA2C
SCHEMBL2822983 0.86 L3MBTL1 (0.48) ADRA2AADRA2BADRA2CNISCH
SCHEMBL4448580 0.86 LTB4R (0.43) PPARDLTB4RLTB4R2
SCHEMBL2817615 0.86 THRA (0.57) THRATHRBLTB4RLTB4R2
SCHEMBL678039 0.86 THRA (0.57) THRATHRBLTB4RLTB4R2
SCHEMBL2818976 0.86 THRA (0.57) THRATHRBLTB4RLTB4R2
SCHEMBL23535276 0.85 THRA (0.56) THRATHRBLTB4RLTB4R2

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 6 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-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 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-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 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 PPARD 2722/4885HTR1A 973/4885ADRA2A 4014/4885
US-20080262237-A1 BLACK PIGMENT, BLACK PIGMENT DISPERSION AND BLACK RESIN COMPOSITION COMPRISING THE SAME DYNLL1, HNRNPL, AOX1 PPARD 2522/4885HTR1A 3145/4885ADRA2A 1871/4885

“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.