SCHEMBL21091968

SCHEMBL21091968

CC(N)CC(C)C(C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL13174873 0.91 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1
SCHEMBL20643406 0.87
SCHEMBL19168756 0.87
SCHEMBL12972450 0.81 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1
SCHEMBL18532308 0.76 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1
SCHEMBL3366291 0.73
SCHEMBL1093910 0.73 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1
SCHEMBL21860393 0.73 METAP1 (0.40) ALDH1A1TSHRMAPK1
SCHEMBL21091974 0.73
SCHEMBL24269491 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046798-B2 Phosphono-phosphate containing compounds and polymers THE PROCTER & GAMBLE COMPANY (US) 2021-06-29 US disclosed
EP-3183363-B1 METHOD FOR DETERMINING THE SURVIVAL PROGNOSIS OF A PATIENT SUFFERING FROM PANCREATIC CANCER ACOBIOM (FR) 2020-03-18 EP disclosed
US-20190192674-A1 NUCLEIC ACID CONJUGATE KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-06-27 US disclosed
US-20190177456-A1 Phosphono-Phosphate Containing Compounds And Polymers THE PROCTER & GAMBLE COMPANY 2019-06-13 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-20190177456-A1 Phosphono-Phosphate Containing Compounds And Polymers PHPT1, PHOSPHO1, PPIP5K2 ALDH1A1 4857/4885TSHR 4020/4885MAPK1 2830/4885
US-20190192674-A1 NUCLEIC ACID CONJUGATE M6PR, NSUN2, NSUN3 ALDH1A1 1171/4885TSHR 1386/4885MAPK1 1494/4885
US-11046798-B2 Phosphono-phosphate containing compounds and polymers PHPT1, PHOSPHO1, PPIP5K2 ALDH1A1 4857/4885TSHR 4020/4885MAPK1 2830/4885

“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.