SCHEMBL4910149

SCHEMBL4910149

COCC1(C)c2ccccc2-c2ccc(C(=O)OC)cc21

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.59
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EGFR P00533 1/20 0.41
TSHR P16473 1/20 0.40
MDM2 Q00987 1/20 0.40
POLB P06746 1/20 0.40
PTGS2 P35354 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL21135534 0.81 PDK2 (0.61) PDK2EGFRTSHRPTGS2CA12
SCHEMBL4910213 0.80 PDK2 (0.68) PDK2EGFRTSHRPTGS2CA12
SCHEMBL4914219 0.79 PDK2 (0.63) PDK2HSD17B10EGFRTSHRPOLB
SCHEMBL4918215 0.78 PDK2 (0.61) PDK2EGFRTSHRPTGS2CA12
SCHEMBL26120111 0.76 PDK2 (0.70) PDK2TSHRPTGS2CA12CA1
SCHEMBL30571665 0.76 PDK2 (0.70) PDK2TSHRPTGS2CA12CA1
SCHEMBL26120223 0.74 PDK2 (0.72) PDK2TSHRPTGS2CA12CA1
SCHEMBL13128005 0.74 PDK2 (1.00) PDK2
SCHEMBL4910868 0.73 PDK2 (0.58) PDK2
SCHEMBL4910872 0.73 PDK2 (0.58) PDK2EGFR

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-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

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 4410/4885MAPK1 2975/4885HSD17B10 3512/4885
US-20080200551-A1 Flourene Derivative HTR2B, HTR7, HTR2C PDK2 4775/4885MAPK1 1109/4885HSD17B10 3563/4885
US-20080171788-A1 Medicament For Irritable Bowel Syndrome HTR7, HTR5A, HTR3B PDK2 4110/4885MAPK1 3890/4885HSD17B10 3058/4885

“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.