SCHEMBL6883682

SCHEMBL6883682

CCCN(c1ccccc1O)C(CC)OCC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.37
TSHR P16473 1/20 0.35
ESR1 P03372 4/20 0.32
HTT P42858 2/20 0.30
KMT2A Q03164 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
TP53 P04637 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6873960 0.91 LMNA (0.34) HTR1ATSHRESR1KMT2AMEN1
SCHEMBL6884301 0.88 TSHR (0.37) TSHRCA12CA1CA2CA7
SCHEMBL6883561 0.80 TSHR (0.38) HTR1ATSHRCA12CA1CA2
SCHEMBL6883042 0.78 TSHR (0.43) HTR1ATSHRESR1TP53LMNA
SCHEMBL6881636 0.77 HTR1A (0.43) HTR1ATSHRESR1TP53
SCHEMBL7731815 0.75 L3MBTL1 (0.34) LMNA
SCHEMBL6874442 0.74 HTR1A (0.41) HTR1ATSHRESR1TP53
SCHEMBL6882162 0.71 HTR1A (0.38) HTR1ATSHRESR1ALDH1A1LMNA
SCHEMBL7723620 0.70 L3MBTL1 (0.35) TSHRHTTLMNA
SCHEMBL1837510 0.69 HTR1A (0.48) HTR1ATSHRESR1ALDH1A1TP53

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 11 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
WO-2000026037-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-05-11 WO 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 HTR1A 3805/4885TSHR 3202/4885ESR1 3576/4885

“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.