SCHEMBL17299577

SCHEMBL17299577

CC(C)(C)c1ccc2sc3c(ccc4ccc5c6ccccc6sc5c43)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.42
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
MAPT P10636 3/20 0.39
APEX1 P27695 1/20 0.39
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN12 Q05209 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
GPR3 P46089 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
TNF P01375 1/20 0.35
NOD1 Q9Y239 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 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
SCHEMBL21703737 0.85 KIF11 (0.44) KIF11TNKSTNKS2MAPTAPEX1
SCHEMBL15893371 0.84 TNKS (0.39) KIF11TNKSTNKS2APEX1TNF
SCHEMBL17299516 0.83 KIF11 (0.55) KIF11TNKSTNKS2MAPTRAB9A
SCHEMBL12060917 0.83 GPR3 (0.54) KIF11TNKSTNKS2MAPTAPEX1
SCHEMBL17299458 0.81 GPR3 (0.54) TNKSTNKS2MAPTGPR3ALDH1A1
SCHEMBL24245795 0.81 ALDH1A1 (0.37) KIF11TNKSTNKS2ALDH1A1L3MBTL1
SCHEMBL25817286 0.79 KIF11 (0.42) KIF11TNKSTNKS2MAPTAPEX1
SCHEMBL25682452 0.79 KIF11 (0.40) KIF11TNKSTNKS2MAPTAPEX1
SCHEMBL23917959 0.78 KIF11 (0.41) KIF11TNKSTNKS2MAPTAPEX1
SCHEMBL25682428 0.78 KIF11 (0.42) KIF11TNKSTNKS2MAPTGPR3

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-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-06-19 US disclosed
US-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-06-19 US disclosed
US-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-03 US disclosed
US-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-03 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 (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-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF ORAI2, ESR1, OR10J3 KIF11 3283/4885TNKS 3748/4885TNKS2 3389/4885
US-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof ORAI2, ESR1, OR10J3 KIF11 3283/4885TNKS 3748/4885TNKS2 3389/4885

“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.