SCHEMBL17299458

SCHEMBL17299458

c1ccc2c(c1)sc1c2ccc2ccc3c4ccccc4sc3c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.54
MAPT P10636 4/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.41
TNKS O95271 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 2/20 0.39
THRB P10828 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PARP14 Q460N5 1/20 0.38
LIMK1 P53667 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38

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
SCHEMBL45841 0.90 GPR3 (0.48) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL19109079 0.87 GPR3 (0.50) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL22011414 0.86 GPR3 (0.48) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL22155783 0.85 MAPT (0.45) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL24039904 0.84 GPR3 (0.56) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL1294342 0.84 GPR3 (0.56) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL22155788 0.84 GPR3 (0.42) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL23819654 0.84 GPR3 (0.42) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL29709992 0.84 ALOX5 (0.48) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL24889877 0.84 CYP1A2 (0.42) GPR3MAPTRAB9AALDH1A1HPGD

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 GPR3 4813/4885MAPT 1256/4885RAB9A 3586/4885
US-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof ORAI2, ESR1, OR10J3 GPR3 4813/4885MAPT 1256/4885RAB9A 3586/4885

“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.