SCHEMBL4432089

SCHEMBL4432089

CNc1cc(C(C)O)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UGT2B7 P16662 1/20 0.42
▸ TRPA1 O75762 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ MEN1 O00255 7/20 0.37
▸ KMT2A Q03164 7/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MYOC Q99972 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ADRB2 P07550 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ADRB1 P08588 1/20 0.34

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
SCHEMBL20987638 0.83 LMNA (0.54) TRPA1PTGS1CACNA1CMEN1KMT2A
SCHEMBL28001830 0.76 UGT2B7 (0.50) UGT2B7TRPA1PTGS1CACNA1CMEN1
SCHEMBL280631 0.76 UGT2B7 (0.50) UGT2B7TRPA1PTGS1CACNA1CMEN1
SCHEMBL13711036 0.75 UGT2B7 (0.45) UGT2B7TRPA1PTGS1CACNA1CMEN1
SCHEMBL23424906 0.72 TSHR (0.37) PTGS1MEN1KMT2ALMNAHTT
SCHEMBL6581493 0.71 TDP1 (0.48) UGT2B7TRPA1PTGS1CACNA1CKMT2A
SCHEMBL20488728 0.71 AKR1C3 (0.49) UGT2B7TRPA1PTGS1CACNA1CMEN1
SCHEMBL19414246 0.71 UGT2B7 (0.45) UGT2B7TRPA1PTGS1CACNA1CMEN1
SCHEMBL1926385 0.71 AKR1C3 (0.49) UGT2B7TRPA1PTGS1CACNA1CMEN1
SCHEMBL5941036 0.71 UGT2B7 (0.45) UGT2B7TRPA1PTGS1CACNA1CMEN1

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
CN-101668749-A Novel pyrimidine derivatives 698 ASTRAZENECA AB 2010-03-10 — — CN disclosed
EP-2132184-A1 NOVEL PYRIMIDINE DERIVATIVES 698 AstraZeneca AB (SE) 2009-12-16 — — EP disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 — — US disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 — — 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 (1 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-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 EPHB4, EPHB1, NME2 UGT2B7 755/4885TRPA1 4263/4885PTGS1 1695/4885

“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.

Send feedback