SCHEMBL6884071

SCHEMBL6884071

CCCCC(CCCC)c1cccc(O)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
IKBKB O14920 1/20 0.36
TLR8 Q9NR97 1/20 0.36
LMNA P02545 1/20 0.35
SLC37A4 O43826 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
G6PD P11413 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33

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
SCHEMBL6881378 0.97 TSHR (0.37) TSHRCYSLTR2CYSLTR1MEN1ALDH1A1
SCHEMBL6882355 0.97 CYSLTR2 (0.40) TSHRCYSLTR2CYSLTR1MEN1ALDH1A1
SCHEMBL6881697 0.93 TSHR (0.41) TSHRCYSLTR2CYSLTR1MEN1ALDH1A1
SCHEMBL6881603 0.92 CYSLTR2 (0.39) TSHRCYSLTR2CYSLTR1MEN1ALDH1A1
SCHEMBL6880632 0.89 TSHR (0.41) TSHRCYSLTR2CYSLTR1MEN1ALDH1A1
SCHEMBL15873747 0.87 CYSLTR2 (0.40) TSHRCYSLTR2CYSLTR1ALDH1A1TDP1
SCHEMBL5587366 0.82 BCHE (0.43) TSHRCYSLTR2CYSLTR1MEN1ALDH1A1
SCHEMBL887607 0.82 TSHR (0.53) TSHRCYSLTR2CYSLTR1MEN1ALDH1A1
SCHEMBL6885162 0.82 TSHR (0.48) TSHRALDH1A1LMNAGABRA1GABRB2
SCHEMBL2947212 0.79 BCHE (0.41) TSHRCYSLTR2CYSLTR1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242891-A1 Production of keto acids CAMPBELL JONATHAN (GB) 2004-12-02 US disclosed
EP-1442009-A1 PRODUCTION OF KETO ACIDS Ciba SC Holding AG (CH) 2004-08-04 EP disclosed
US-6635602-B1 Heat sensitive and pressure sensitive recording material; synthesised directly by the reaction of two derivatives of amino phenols, phthalic anhydrides, keto acids and/or diphenylamines with a phenol derivative CIBA SPECIALTY CHEMICALS CORPORATION 2003-10-21 US disclosed
US-6566302-B1 For use in heat sensitive and pressure sensitive recording materials CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-20 US disclosed
WO-2003037846-A1 PRODUCTION OF KETO ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-08 WO disclosed
EP-1107972-B1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN CIBA SC HOLDING AG (CH) 2003-01-02 EP disclosed
EP-1115579-B1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SC HOLDING AG (CH) 2002-11-20 EP disclosed
EP-0853079-B1 Production of keto acids CIBA SC HOLDING AG (CH) 2002-06-05 EP disclosed
US-5925787-A Production of keto acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-07-20 US disclosed
EP-0853079-A1 Production of keto acids Ciba SC Holding AG (CH) 1998-07-15 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-20040242891-A1 Production of keto acids PKLR, KHK, ME1 TSHR 3202/4885CYSLTR2 1866/4885CYSLTR1 1934/4885

“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.