SCHEMBL853295

SCHEMBL853295

CCCC[CH]OCCCCO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
ACHE P22303 6/20 0.38
LPAR2 Q9HBW0 2/20 0.35
LPAR3 Q9UBY5 2/20 0.35
LPAR1 Q92633 1/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL3389910 0.94 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL8575768 0.92 LMNA (0.52) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL391950 0.86
SCHEMBL982450 0.86 TSHR (0.38) ALDH1A1MEN1KMT2ATSHRTHRB
SCHEMBL352158 0.84 TSHR (0.40) MEN1KMT2ATSHRTHRBHTT
SCHEMBL982550 0.84 TSHR (0.40) MEN1KMT2ATSHRTHRBHTT
SCHEMBL983048 0.84 TSHR (0.40) MEN1KMT2ATSHRTHRBHTT
SCHEMBL1109718 0.84 TSHR (0.40) MEN1KMT2ATSHRTHRBHTT
SCHEMBL980131 0.84 TSHR (0.40) MEN1KMT2ATSHRTHRBHTT
SCHEMBL983036 0.84 TSHR (0.40) MEN1KMT2ATSHRTHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432768-B1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-07-05 EP disclosed
US-9533978-B2 Pyrimidine derivatives and their use in the treatment of cancer and further diseases SUMITOMO DAINIPPON PHARMA CO., LTD (JP) 2017-01-03 US disclosed
US-20150080396-A1 Novel Pyrimidine Derivatives and Their Use in the Treatment of Cancer and Further Diseases DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2015-03-19 US disclosed
US-20120122867-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES ASTRAZENECA UK LIMITED (GB) 2012-05-17 US disclosed
EP-2432768-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES AstraZeneca AB (SE) 2012-03-28 EP disclosed
WO-2010133885-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES ASTRAZENECA AB (SE) 2010-11-25 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 (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-20120122867-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES TYMS, TYMP, DPYD SMN1; SMN2 1637/4885ALDH1A1 339/4885LMNA 2228/4885
US-20150080396-A1 Novel Pyrimidine Derivatives and Their Use in the Treatment of Cancer and Further Diseases TYMS, TYMP, DPYD SMN1; SMN2 1637/4885ALDH1A1 339/4885LMNA 2228/4885

“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.