SCHEMBL7844967

SCHEMBL7844967

COc1ccc(C(C)(C)C)cc1OCC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.52
SNCA P37840 1/20 0.50
ALDH1A1 P00352 5/20 0.49
HTT P42858 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PLAU P00749 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL7846219 0.95 SNCA (0.56) CYP2C19SNCAALDH1A1HTTCYP2D6
SCHEMBL7846867 0.86 CYP2C19 (0.51) CYP2C19ALDH1A1HTTMEN1KMT2A
SCHEMBL15613307 0.83 ALDH1A1 (0.62) CYP2C19ALDH1A1HTTMEN1KMT2A
SCHEMBL13624055 0.81 CYP2C19 (0.68) CYP2C19HTTMEN1KMT2ASMN1; SMN2
SCHEMBL7306860 0.80 CYP2C19 (0.43) CYP2C19SNCAALDH1A1HTTMEN1
SCHEMBL7844241 0.80 CYP2C19 (0.51) CYP2C19ALDH1A1HTTMEN1KMT2A
SCHEMBL7313993 0.80 CYP2C19 (0.51) CYP2C19SNCAALDH1A1HTTMEN1
SCHEMBL13757708 0.79 CYP2C19 (0.54) CYP2C19ALDH1A1HTTMEN1KMT2A
SCHEMBL13757719 0.79 CYP2C19 (0.74) CYP2C19ALDH1A1HTTMEN1KMT2A
SCHEMBL18715337 0.79 ACHE (0.57) CYP2C19SNCAALDH1A1HTTCYP3A4

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-8377945-B2 Small molecule inhibitors of spleen tyrosine kinase (SYK) RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 US disclosed
US-8377945-B2 Small molecule inhibitors of spleen tyrosine kinase (SYK) RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 US disclosed
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) MIDCAP FINANCIAL TRUST 2010-12-16 US disclosed
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) MIDCAP FINANCIAL TRUST 2010-12-16 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 (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-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK CYP2C19 4512/4885SNCA 3914/4885ALDH1A1 4307/4885

“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.