SCHEMBL6861464

SCHEMBL6861464

CC1(C)OB(c2ccc(Oc3ccccc3)c(C#N)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.44
LIPG Q9Y5X9 2/20 0.44
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLA2G7 Q13093 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
AR P10275 2/20 0.36
CYP19A1 P11511 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ESR2 Q92731 1/20 0.36
DGAT1 O75907 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36

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
SCHEMBL5801374 0.84 POLB (0.57) LPLLIPGPOLBGAAPDE4A
SCHEMBL877731 0.84 CYP1A2 (0.41) POLBARSCN9A
SCHEMBL12327209 0.83 LIPG (0.44) LPLLIPGCA1CA2CA9
SCHEMBL1667913 0.82 ALDH1A1 (0.49) LPLLIPGALDH1A1ARCA1
SCHEMBL28582834 0.81 MAOB (0.49) LPLLIPGDGAT1MAOB
SCHEMBL1129289 0.81 LIPG (0.49) LPLLIPGCA1CA2CA9
SCHEMBL1129150 0.80 TTR (0.48) LPLLIPGCA1CA2CA9
SCHEMBL4366318 0.80 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL1129141 0.80 TTR (0.48) LPLLIPGALDH1A1CA1CA2
SCHEMBL4356244 0.80 LPL (0.47) LPLLIPGCA1CA2CA9

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-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 US disclosed
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 US disclosed
WO-2001072751-A1 PYRROLOPYRIMIDINES AS TYROSINE KINASE INHIBITORS KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-10-04 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-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI LPL 3780/4885LIPG 2107/4885POLB 1457/4885

“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.