SCHEMBL12865657

SCHEMBL12865657

CCC1(CC)c2cc(-c3cc(-c4cc(-c5ccc6c(c5)C(C)(C)c5cc(OC)ccc5-6)cc(-c5ccc6c(c5)C(CC)(CC)c5cc(C(C)(C)C)ccc5-6)c4)cc(-c4ccc5c(c4)C(C)(C)c4cc(OC)ccc4-5)c3)ccc2-c2ccc(C(C)(C)C)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
PGR P06401 1/20 0.32
SRC P12931 1/20 0.32
ALK Q9UM73 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 1/20 0.31
ABCB1 P08183 1/20 0.31
BCR P11274 1/20 0.31
HTR2C P28335 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL12865626 0.92 PDK2 (0.41) PDK2HSD17B1HSD17B2HSP90AA1HSP90AB1
SCHEMBL12865710 0.89 PDK2 (0.45) PDK2HSD17B1HSD17B2HSP90AA1HSP90AB1
SCHEMBL12865658 0.85 HSD17B1 (0.46) PDK2HSD17B1HSD17B2PGRSMN1; SMN2
SCHEMBL12865654 0.84 PDK2 (0.46) PDK2HSD17B1HSD17B2PGRABL1
SCHEMBL12865663 0.84 PDK2 (0.46) PDK2HSD17B1HSD17B2PGRABL1
SCHEMBL12865633 0.81 HSD17B1 (0.50) PDK2HSD17B1HSD17B2PGRSMN1; SMN2
SCHEMBL27973277 0.77 KIF11 (0.40) PDK2PGR
SCHEMBL18751974 0.76 PDK2 (0.36) PDK2SMN1; SMN2
SCHEMBL12880503 0.75 CYP1A2 (0.53) PDK2HSD17B1HSD17B2PGRSMN1; SMN2
SCHEMBL12865702 0.74 PDK2 (0.50) PDK2HSD17B1HSD17B2PGRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7883786-B2 highly efficient and highly luminescent optical power and is superior in durability CANON KABUSHIKI KAISHA (JP) 2011-02-08 US disclosed
US-7883786-B2 highly efficient and highly luminescent optical power and is superior in durability CANON KABUSHIKI KAISHA (JP) 2011-02-08 US disclosed
US-20080297034-A1 BIPHENYL DERIVATIVE AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CANON KABUSHIKI KAISHA (JP) 2008-12-04 US disclosed
US-20080297034-A1 BIPHENYL DERIVATIVE AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CANON KABUSHIKI KAISHA (JP) 2008-12-04 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 (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-20080297034-A1 BIPHENYL DERIVATIVE AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LEF1, CYP1B1, ESR1 PDK2 1367/4885HSD17B1 874/4885HSD17B2 838/4885

“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.