SCHEMBL10042964

SCHEMBL10042964

CC1(C)c2ccc(Cl)cc2-c2ccc3c4ccccc4c4ccccc4c3c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.38
PGR P06401 3/20 0.36
S100A4 P26447 1/20 0.34
AHR P35869 1/20 0.33
GSK3B P49841 3/20 0.33
GSK3A P49840 2/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
CDK2 P24941 2/20 0.33
MEN1 O00255 1/20 0.33
RGS12 O14924 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
CCNB2 O95067 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CDK1 P06493 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL17563705 0.89 PDK2 (0.39) PDK2PGRAHRCDK4CCND1
SCHEMBL22243642 0.82 AHR (0.45) PDK2PGRAHRMEN1POLB
SCHEMBL22920831 0.81 KDM4E (0.43) PDK2PGRMEN1CYP1A2POLB
SCHEMBL22920952 0.81 PDK2 (0.53) PDK2PGRS100A4PPOX
SCHEMBL20654781 0.79 AHR (0.49) PDK2PGRAHRMEN1LMNA
SCHEMBL22920953 0.78 KDM4E (0.38) PDK2PGRTP53MAPTSMN1; SMN2
SCHEMBL22920874 0.78 L3MBTL1 (0.40) PGRGSK3BGSK3ACDK4CCND1
SCHEMBL17563617 0.75 MEN1 (0.37) AHRMEN1USP2LMNATP53
SCHEMBL10043027 0.75 LIPG (0.40)
SCHEMBL24969167 0.75 PDK2 (0.43) PDK2PGRS100A4MEN1CYP1A2

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-10032990-B2 Organic composition, and organic optoelectronic element and display device SAMSUNG SDI CO., LTD. (KR) 2018-07-24 US disclosed
US-10032990-B2 Organic composition, and organic optoelectronic element and display device SAMSUNG SDI CO., LTD. (KR) 2018-07-24 US disclosed
US-20160072073-A1 ORGANIC COMPOSITION, AND ORGANIC OPTOELECTRONIC ELEMENT AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-03-10 US disclosed
US-20160072073-A1 ORGANIC COMPOSITION, AND ORGANIC OPTOELECTRONIC ELEMENT AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-03-10 US disclosed
US-20130249968-A1 FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-09-26 US disclosed
US-20130249968-A1 FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-09-26 US disclosed
WO-2012086366-A1 FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-28 WO 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-10032990-B2 Organic composition, and organic optoelectronic element and display device OCIAD2, OCIAD1, OR51E2 PDK2 3049/4885PGR 3336/4885S100A4 706/4885
US-20160072073-A1 ORGANIC COMPOSITION, AND ORGANIC OPTOELECTRONIC ELEMENT AND DISPLAY DEVICE OCIAD2, OCIAD1, OR51E2 PDK2 3049/4885PGR 3336/4885S100A4 706/4885

“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.