SCHEMBL17299574

SCHEMBL17299574

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc3ccc4c5ccccc5sc4c3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
PARP14 Q460N5 1/20 0.36
GPR3 P46089 1/20 0.35
MAPT P10636 2/20 0.33
PRKDC P78527 6/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BRD4 O60885 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 1/20 0.30
KCNH2 Q12809 1/20 0.30
BRDT Q58F21 1/20 0.30
TNKS O95271 1/20 0.30

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
SCHEMBL17299572 0.92 ALOX5 (0.36) ALOX5PARP14GPR3MAPTPRKDC
SCHEMBL18156883 0.87 ALOX5 (0.43) ALOX5PARP14GPR3MAPTPRKDC
SCHEMBL17299430 0.86 PARP14 (0.38) ALOX5PARP14GPR3MAPTPRKDC
SCHEMBL22930729 0.84 ALOX5 (0.41) ALOX5PARP14GPR3MAPTPRKDC
SCHEMBL15593062 0.82 PARP14 (0.48) ALOX5PARP14GPR3MAPTPRKDC
SCHEMBL19760329 0.79 PDK2 (0.38) ALOX5PARP14GPR3MAPTPRKDC
SCHEMBL438622 0.79 PARP14 (0.50) ALOX5PARP14GPR3MAPTPRKDC
SCHEMBL22105082 0.79 ALOX5 (0.46) ALOX5PARP14GPR3MAPTPRKDC
SCHEMBL20390280 0.78 TNKS (0.34) ALOX5PARP14GPR3MAPTALDH1A1
SCHEMBL24905697 0.78 ALOX5 (0.44) ALOX5PARP14GPR3MAPTPRKDC

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 3 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

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 ALOX5 901/4885PARP14 2072/4885GPR3 4813/4885
US-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof ORAI2, ESR1, OR10J3 ALOX5 901/4885PARP14 2072/4885GPR3 4813/4885

“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.