SCHEMBL3242474

SCHEMBL3242474

CCc1ccc(C(OC(c2ccc(CC)cc2)C2CO2)C2CO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
TAAR1 Q96RJ0 1/20 0.31
TP53 P04637 1/20 0.31
SOD1 P00441 1/20 0.31
CYP2A6 P11509 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL9502745 0.83 THRA (0.41) HPGDSLC6A2SLC6A4SLC6A3TP53
SCHEMBL14889733 0.82 LTA4H (0.32) TSHR
SCHEMBL10411867 0.81 THRA (0.49) SLC6A2SLC6A4SLC6A3TP53LPL
SCHEMBL7871491 0.81 THRA (0.49) SLC6A2SLC6A4SLC6A3TP53LPL
SCHEMBL27082092 0.81 THRA (0.49) SLC6A2SLC6A4SLC6A3TP53LPL
SCHEMBL4813260 0.81 NPSR1 (0.39) TSHRHPGD
SCHEMBL10345289 0.80 ACACB (0.36) L3MBTL1
SCHEMBL3784692 0.79 CHRNA7 (0.39) TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL8847061 0.79 MGLL (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL10586992 0.78 ALDH1A1 (0.40) TSHRHPGDTP53

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 8 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
EP-0324569-B1 Process for preparing functionalized polymeric compositions ROHM & HAAS (US) 2004-10-27 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
US-5130369-A Polymerization of a monomer with a chain transfer agent and a second monomer with the monomers interacting ROHM AND HAAS COMPANY (US) 1992-07-14 US disclosed
US-3953604-A INHALATION, ANTI-ASTHMA MILES LABORATORIES, INC. (US) 1976-04-27 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 (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 TSHR 4441/4885MAPK1 4510/4885ATM 2706/4885

“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.