SCHEMBL4818565

SCHEMBL4818565

OCCc1ccc2c(c1)CCC21OCCO1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX5 P09917 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
BACE1 P56817 1/20 0.36
ESR2 Q92731 9/20 0.35
ESR1 P03372 7/20 0.35
PDK2 Q15119 1/20 0.32
CA2 P00918 1/20 0.32
CYP26A1 O43174 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32

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
SCHEMBL4815280 0.88 ESR2 (0.37) ESR2ESR1CYP26A1CYP26B1
SCHEMBL17539089 0.78 ESR2 (0.35) ESR2ESR1
SCHEMBL6399115 0.78 KDM4E (0.35) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL4810769 0.76 PDK2 (0.33) ESR2ESR1PDK2
SCHEMBL17509607 0.74 CYP26A1 (0.37) ALDH1A1GAAESR2ESR1PDK2
SCHEMBL4817625 0.72 KDM1A (0.40) BACE1
SCHEMBL8733215 0.71 ESR1 (0.39) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL8853672 0.69 ALDH1A1 (0.48) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL17509598 0.69 ALDH1A1 (0.36) KDM4EALDH1A1GAAMAPTCYP26A1
SCHEMBL11949124 0.68 KDM4E (0.40) KDM4EALDH1A1ALOX5GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 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 (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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 KDM4E 1449/4885ALDH1A1 3901/4885ALOX5 3815/4885
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 KDM4E 2898/4885ALDH1A1 3848/4885ALOX5 4528/4885

“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.