SCHEMBL12865697

SCHEMBL12865697

COc1ccc(-c2cc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(-c4ccc5c(c4)C(C)(C)c4cc(OC)ccc4-5)c3)cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.58
ABL1 P00519 2/20 0.47
ABCB1 P08183 2/20 0.47
BCR P11274 2/20 0.47
PGR P06401 2/20 0.43
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP4B1 P13584 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
SCHEMBL12865622 0.97 PDK2 (0.53) PDK2ABL1ABCB1BCRPGR
SCHEMBL12865688 0.96 PDK2 (0.53) PDK2ABL1ABCB1BCRPGR
SCHEMBL12393754 0.94 PDK2 (0.63) PDK2ABL1ABCB1BCRPGR
SCHEMBL13385079 0.94 PDK2 (0.63) PDK2ABL1ABCB1BCRPGR
SCHEMBL12865702 0.91 PDK2 (0.50) PDK2ABL1ABCB1BCRPGR
SCHEMBL12865633 0.89 HSD17B1 (0.50) PDK2ABL1ABCB1BCRPGR
SCHEMBL12880931 0.89 PDK2 (0.50) PDK2ABL1ABCB1BCRSMN1; SMN2
SCHEMBL13385084 0.88 PDK2 (0.52) PDK2ABL1ABCB1BCRPGR
SCHEMBL12393746 0.88 PDK2 (0.59) PDK2ABL1ABCB1BCRPGR
SCHEMBL29853561 0.88 PDK2 (0.59) PDK2ABL1ABCB1BCRPGR

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 1367/4885ABL1 939/4885ABCB1 807/4885

“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.