SCHEMBL588493

SCHEMBL588493

CCCC(O)[N]C(O)CCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
LMNA P02545 1/20 0.36
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
FDPS P14324 1/20 0.33
AOC3 Q16853 1/20 0.31
HDAC7 Q8WUI4 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
SCHEMBL588461 0.81 ALDH1A1 (0.40) TSHRLMNATDP1FDPS
SCHEMBL588814 0.79 GPR84 (0.44) LMNACYP3A4FDPS
SCHEMBL8312133 0.77 GPR84 (0.48) TSHRLMNACYP3A4FDPS
SCHEMBL13624162 0.75
SCHEMBL588441 0.72
SCHEMBL17316269 0.71
SCHEMBL28703 0.67
SCHEMBL13476921 0.67 LMNA (0.55) TSHRLMNACHRM1AKR1A1CHRM3
SCHEMBL11142874 0.67 TSHR (0.42) TSHRLMNACHRM1AKR1A1CHRM3
SCHEMBL104878 0.67 LMNA (0.55) TSHRLMNACHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114819-B2 Polymers for oilfield applications BAKER HUGHES INCORPORATED (US) 2012-02-14 US disclosed
US-20100105580-A1 Polymers For Oilfield Applications BJ SERVICES COMPANY (US) 2010-04-29 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 EP disclosed
US-20050161184-A1 Amphoteric and cationic fluorescent whitening agents CIBA SPECIALTY CHEMICALS CORP. 2005-07-28 US disclosed
EP-1485361-A1 AMPHOTERIC AND CATIONIC FLUORESCENT WHITENING AGENTS Ciba SC Holding AG (CH) 2004-12-15 EP disclosed
WO-2003078406-A1 AMPHOTERIC AND CATIONIC FLUORESCENT WHITENING AGENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (US) 2003-09-25 WO disclosed
WO-2001042188-A2 HYDROCARBYL POLYOXYALKYLENE AMINOALCOHOL AND FUEL COMPOSITION CONTAINING SAME TEXACO DEVELOPMENT CORPORATION (US) 2001-06-14 WO disclosed
EP-0519423-B1 Phthalocyanine compounds and usage thereof MITSUI CHEMICALS INC (JP) 1999-03-03 EP disclosed
US-5695911-A CONTAINING PHTHALOCYANINE COMPOUND MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-12-09 US disclosed
US-5380842-A Color filters MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-01-10 US disclosed
EP-0519423-A2 Phthalocyanine compounds and usage thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-23 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 (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-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 TSHR 4140/4885LMNA 4066/4885CHRM1 1082/4885
US-20050161184-A1 Amphoteric and cationic fluorescent whitening agents C3AR1, C1R, AOC3 TSHR 456/4885LMNA 155/4885CHRM1 4/4885

“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.