SCHEMBL4910872

SCHEMBL4910872

COC(=O)c1ccc2c(c1)C(O)(CCCO)c1ccccc1-2

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 15/20 0.58
CYP4A11 Q02928 4/20 0.44
CYP4F2 P78329 3/20 0.44
EGFR P00533 1/20 0.41

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
SCHEMBL4918733 0.84 PDK2 (0.48) PDK2
SCHEMBL2483545 0.81 PTGS1 (0.41) PDK2CYP4A11CYP4F2EGFR
SCHEMBL4918215 0.78 PDK2 (0.61) PDK2CYP4A11CYP4F2EGFR
SCHEMBL4910213 0.77 PDK2 (0.68) PDK2EGFR
SCHEMBL21135534 0.75 PDK2 (0.61) PDK2EGFR
SCHEMBL13128005 0.74 PDK2 (1.00) PDK2
SCHEMBL4914219 0.73 PDK2 (0.63) PDK2EGFR
SCHEMBL4910149 0.73 PDK2 (0.59) PDK2EGFR
SCHEMBL4910868 0.72 PDK2 (0.58) PDK2
SCHEMBL26120223 0.72 PDK2 (0.72) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200551-A1 Flourene Derivative ASTELLAS PHARMA INC. (JP) 2008-08-21 US disclosed
US-20080171788-A1 Medicament For Irritable Bowel Syndrome ASTELLAS PHARMA INC. (JP) 2008-07-17 US disclosed
US-20080161419-A1 Prophylactic Antimigraine Agents ASTELLAS PHARMA INC. (JP) 2008-07-03 US disclosed
EP-1852129-A1 REMEDY FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2007-11-07 EP disclosed
EP-1728784-A1 FLUORENE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-06 EP disclosed
EP-1716867-A1 PREVENTIVES FOR MIGRAINE Astellas Pharma Inc. (JP) 2006-11-02 EP disclosed
CN-1842517-A Fluorene derivatives ASTELLAS PHARMA INC (JP) 2006-10-04 CN 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 (3 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-20080161419-A1 Prophylactic Antimigraine Agents HTR2B, HTR7, HTR1A PDK2 4410/4885CYP4A11 4453/4885CYP4F2 4246/4885
US-20080200551-A1 Flourene Derivative HTR2B, HTR7, HTR2C PDK2 4775/4885CYP4A11 4011/4885CYP4F2 2199/4885
US-20080171788-A1 Medicament For Irritable Bowel Syndrome HTR7, HTR5A, HTR3B PDK2 4110/4885CYP4A11 1931/4885CYP4F2 3560/4885

“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.