SCHEMBL4815280

SCHEMBL4815280

OCc1ccc2c(c1)CCC21OCCO1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.37
ESR1 P03372 8/20 0.37
GRIN2B Q13224 2/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31
CYP26A1 O43174 1/20 0.30
CYP26B1 Q9NR63 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL4810769 0.89 PDK2 (0.33) ESR2ESR1GRIN2B
SCHEMBL4818565 0.88 KDM4E (0.36) ESR2ESR1CYP26A1CYP26B1
SCHEMBL17539089 0.80 ESR2 (0.35) ESR2ESR1
SCHEMBL30583476 0.76 GRIN2B (0.34) ESR2ESR1GRIN2BCYP4F2CYP4A11
SCHEMBL9049281 0.76 MAP3K14 (0.38) CYP26A1CYP26B1
SCHEMBL12491381 0.76 ESR2 (0.47) ESR2ESR1CYP26A1CYP26B1
SCHEMBL4817625 0.75 KDM1A (0.40)
SCHEMBL16977657 0.73 ESR2 (0.39) ESR2ESR1GRIN2BEP300CREBBP
SCHEMBL4814771 0.72 ESR1 (0.33) ESR2ESR1
SCHEMBL4816490 0.72 ESR1 (0.33) ESR2ESR1

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
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
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 WO 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 ESR2 2618/4885ESR1 3300/4885GRIN2B 2182/4885
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 ESR2 2286/4885ESR1 3443/4885GRIN2B 2504/4885

“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.