SCHEMBL1781587

SCHEMBL1781587

CCCC(=O)CCCOC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
FFAR3 O14843 3/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
DGKA P23743 1/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
HAO1 Q9UJM8 1/20 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
SCHEMBL31549344 0.93 ALDH1A1 (0.56) ALDH1A1TSHRKMT2AMAPTCES2
SCHEMBL9891380 0.91 ALDH1A1 (0.59) ALDH1A1TSHRKMT2AMAPTCES2
SCHEMBL27441221 0.91 ALDH1A1 (0.54) ALDH1A1TSHRKMT2AMAPTCES2
SCHEMBL9891379 0.91 ALDH1A1 (0.46) ALDH1A1TSHRKMT2AMAPTCES2
SCHEMBL1392323 0.90 ALDH1A1 (0.54) ALDH1A1TSHRKMT2AMAPTMEN1
SCHEMBL27441231 0.88 TSHR (0.45) ALDH1A1TSHRKMT2AMAPTCES2
SCHEMBL27441229 0.86 KMT2A (0.54) ALDH1A1TSHRKMT2AMAPTCES2
SCHEMBL31549369 0.85 ALDH1A1 (0.62) ALDH1A1TSHRKMT2AMAPTDGKA
SCHEMBL1520911 0.85
SCHEMBL27441244 0.84 ALDH1A1 (0.45) ALDH1A1TSHRKMT2AMAPTDGKA

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
US-20160355859-A1 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2016-12-08 US disclosed
US-9212308-B2 Liquid crystal composition, polymer/liquid crystal composite, liquid crystal element, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-12-15 US disclosed
US-9212308-B2 Liquid crystal composition, polymer/liquid crystal composite, liquid crystal element, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-12-15 US disclosed
US-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST NOVO NORDISK HEALTHCARE AG (CH) 2014-09-18 US disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20120138853-A1 LIQUID CRYSTAL COMPOSITION, POLYMER/LIQUID CRYSTAL COMPOSITE, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-06-07 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO 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 (3 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 ALDH1A1 520/4885TSHR 2479/4885KMT2A 3562/4885
US-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST GALE, GALNT2, GALNT1 ALDH1A1 244/4885TSHR 1226/4885KMT2A 4257/4885
US-20160355859-A1 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES TGM2, TGM3, TGM1 ALDH1A1 3543/4885TSHR 1299/4885KMT2A 2163/4885

“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.