SCHEMBL3239492

SCHEMBL3239492

CCCCCCCCCc1ccc(C(SC(c2ccc(CCCCCCCCC)cc2)C2CO2)C2CO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
HTR2A P28223 2/20 0.46
SPHK1 Q9NYA1 7/20 0.45
SPHK2 Q9NRA0 4/20 0.45
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSPD1 P10809 1/20 0.44
ADRB3 P13945 1/20 0.44

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
SCHEMBL11100474 0.81 TSHR (0.40) TP53LPLLIPG
SCHEMBL10411867 0.79 THRA (0.49) THRATHRBHTR2ASPHK1SPHK2
SCHEMBL27082092 0.79 THRA (0.49) THRATHRBHTR2ASPHK1SPHK2
SCHEMBL7871491 0.79 THRA (0.49) THRATHRBHTR2ASPHK1SPHK2
SCHEMBL28843949 0.74 THRA (0.46) THRATHRBHTR2ASPHK1SPHK2
SCHEMBL9502745 0.73 THRA (0.41) THRATHRBHTR2ASPHK1SPHK2
SCHEMBL18920673 0.72 THRB (0.48) THRATHRBHTR2ASPHK1SPHK2
SCHEMBL11454899 0.72 THRB (0.48) THRATHRBHTR2ASPHK1SPHK2
SCHEMBL13912852 0.72 THRA (0.47) THRATHRBHTR2ASPHK1SPHK2
SCHEMBL11823256 0.71 THRA (0.56) THRATHRBHTR2ASPHK1SPHK2

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-1184364-B1 COMB-SHAPED DIOL, WATER-SOLUBLE POLYURETHANE, AND USE THEREOF MITSUI CHEMICALS INC (JP) 2010-07-28 EP disclosed
US-6646093-B2 Extruding auxiliary for cement materials, a mortar thickening agent, an underwater concrete thickening agent, a ceramics forming binder and a moisturizer for hair cosmetics; water and shape retention. MITSUI CHEMICALS, INC. (JP) 2003-11-11 US disclosed
US-6515050-B1 An extruding auxiliary using the above novel water-soluble polyurethane; additive for underwater concrete MITSUI CHEMICALS, INC. (JP) 2003-02-04 US disclosed
US-20020045724-A1 Water-souluble polyurthane having comb-shaped hydrophobic group and application thereof MITSUI TAKEDA CHEMICALS, INC. (JP) 2002-04-18 US disclosed
EP-1184364-A1 COMB-SHAPED DIOL, WATER-SOLUBLE POLYURETHANE, AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2002-03-06 EP 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-20020045724-A1 Water-souluble polyurthane having comb-shaped hydrophobic group and application thereof BMI1, ASH2L, HAT1 THRA 3062/4885THRB 3403/4885HTR2A 1986/4885

“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.