SCHEMBL9891378

SCHEMBL9891378

CCCCC(=O)CCCCCOC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
DGKA P23743 1/20 0.47
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
HAO1 Q9UJM8 1/20 0.44
GPR84 Q9NQS5 7/20 0.43
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 4/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL31220891 0.96 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTDGKACES2
SCHEMBL9891380 0.91 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTDGKACES2
SCHEMBL9891379 0.91 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTDGKACES2
SCHEMBL31549344 0.89 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTDGKACES2
SCHEMBL27441231 0.89 TSHR (0.45) ALDH1A1KMT2AMAPTDGKACES2
SCHEMBL28160073 0.89 MAPT (0.48) ALDH1A1KMT2AMAPTDGKACES2
SCHEMBL27441221 0.87 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTDGKACES2
SCHEMBL27441229 0.87 KMT2A (0.54) ALDH1A1KMT2AMAPTDGKACES2
SCHEMBL31549369 0.86 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTDGKATSHR
SCHEMBL27441218 0.85 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTDGKACES2

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 5 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-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

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-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST GALE, GALNT2, GALNT1 ALDH1A1 244/4885KMT2A 4257/4885MAPT 3176/4885
US-20160355859-A1 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES TGM2, TGM3, TGM1 ALDH1A1 3543/4885KMT2A 2163/4885MAPT 2315/4885

“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.