SCHEMBL12408993

SCHEMBL12408993

Cc1ccc(-c2ccc(C(F)(F)F)cn2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 3/20 0.44
KIF11 P52732 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.39
CASP3 P42574 2/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
APAF1 O14727 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GCK P35557 1/20 0.36
GCKR Q14397 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
XPO1 O14980 1/20 0.35

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
SCHEMBL29595709 0.78 NPSR1 (0.53) NPSR1KDM4EKIF11L3MBTL1KMT2A
SCHEMBL811160 0.78 NPSR1 (0.53) NPSR1KDM4EKIF11L3MBTL1KMT2A
SCHEMBL24689583 0.76 CCR1 (0.64) NPSR1KDM4EKIF11L3MBTL1KMT2A
SCHEMBL5050187 0.76 KIF11 (0.47) KDM4EKIF11KMT2AMAPTALDH1A1
SCHEMBL12405064 0.75 NPC1 (0.42) KDM4EKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL23665366 0.75 CCR1 (0.62) KDM4EKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5861197 0.75 CYP1A2 (0.41) NPSR1KDM4EKIF11L3MBTL1KMT2A
SCHEMBL5861652 0.75 KDM4E (0.39) NPSR1KDM4EKIF11L3MBTL1KMT2A
SCHEMBL15432172 0.74 NPC1 (0.48) NPSR1KDM4EKMT2ACASP3MAPT
SCHEMBL556771 0.74 SMN1; SMN2 (0.47) NPSR1KDM4EL3MBTL1KMT2ACASP3

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-7973168-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-07-05 US disclosed
US-7973168-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-07-05 US disclosed
US-20090326236-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-31 US disclosed
US-20090326236-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-31 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-20090326236-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME MT-CO1, ROS1, MAL2 NPSR1 3142/4885KDM4E 2620/4885KIF11 2478/4885

“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.