SCHEMBL16072732

SCHEMBL16072732

CCCC(=O)N1CCC(CCOC)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 3/20 0.51
▸ GNAO1 P09471 3/20 0.51
▸ GNAI1 P63096 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.48
▸ AKR1C3 P42330 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ TPSAB1 Q15661 1/20 0.42
▸ TPSD1 Q9BZJ3 1/20 0.42
▸ TPSG1 Q9NRR2 1/20 0.42
▸ ITGB3 P05106 2/20 0.41
▸ ITGA2B P08514 2/20 0.41

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
SCHEMBL16072731 0.91 GNAI3 (0.59) GNAI3GNAO1GNAI1ALDH1A1KDM4E
SCHEMBL19002634 0.91 GNAI3 (0.52) GNAI3GNAO1GNAI1ALDH1A1HSD11B1
SCHEMBL16072733 0.88 GNAI3 (0.68) GNAI3GNAO1GNAI1ALDH1A1NPC1
SCHEMBL16072734 0.88 GNAI3 (0.68) GNAI3GNAO1GNAI1ALDH1A1NPC1
SCHEMBL13498641 0.87 GNAI3 (0.51) GNAI3GNAO1GNAI1ALDH1A1HSD11B1
SCHEMBL19049434 0.87 AKR1C3 (0.46) GNAI3GNAO1GNAI1ALDH1A1AKR1C3
SCHEMBL13498561 0.86 GNAI3 (0.50) GNAI3GNAO1GNAI1ALDH1A1HSD11B1
SCHEMBL10274497 0.84 GNAI3 (0.58) GNAI3GNAO1GNAI1ALDH1A1HSD11B1
SCHEMBL13498645 0.84 GNAI3 (0.56) GNAI3GNAO1GNAI1ALDH1A1DRD2
SCHEMBL23716522 0.83 CHRNB2 (0.50) GNAI3GNAO1GNAI1ALDH1A1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 — — US disclosed
US-20160355859-A1 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2016-12-08 — — 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

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-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST GALE, GALNT2, GALNT1 GNAI3 1106/4885GNAO1 212/4885GNAI1 1120/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 GNAI3 861/4885GNAO1 1452/4885GNAI1 680/4885
US-20160355859-A1 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES TGM2, TGM3, TGM1 GNAI3 1834/4885GNAO1 3325/4885GNAI1 1692/4885

“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.

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