SCHEMBL9891379

SCHEMBL9891379

CCCCC(=O)CCCOC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CES1 P23141 5/20 0.46
CES2 O00748 4/20 0.46
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
CA1 P00915 1/20 0.41
DGKA P23743 1/20 0.40
IAPP P10997 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
AKR1B1 P15121 1/20 0.37

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
SCHEMBL27441231 0.98 TSHR (0.45) ALDH1A1MAPTKMT2ACES1CES2
SCHEMBL28160073 0.93 MAPT (0.48) ALDH1A1MAPTKMT2ACES1CES2
SCHEMBL27441229 0.91 KMT2A (0.54) ALDH1A1MAPTKMT2ACES1CES2
SCHEMBL9891378 0.91 ALDH1A1 (0.59) ALDH1A1MAPTKMT2ACES1CES2
SCHEMBL1781587 0.91 ALDH1A1 (0.46) ALDH1A1MAPTKMT2ACES1CES2
SCHEMBL1392323 0.90 ALDH1A1 (0.54) ALDH1A1MAPTKMT2ATSHR
SCHEMBL31220891 0.86 ALDH1A1 (0.59) ALDH1A1MAPTKMT2ACES1CES2
SCHEMBL31549369 0.85 ALDH1A1 (0.62) ALDH1A1MAPTKMT2ATSHRDGKA
SCHEMBL31549344 0.84 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ACES1CES2
SCHEMBL11896356 0.84 KMT2A (0.56) ALDH1A1MAPTKMT2ACES1CES2

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 244/4885MAPT 3176/4885KMT2A 4257/4885
US-20160355859-A1 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES TGM2, TGM3, TGM1 ALDH1A1 3543/4885MAPT 2315/4885KMT2A 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.