SCHEMBL16865685

SCHEMBL16865685

c1ccc(-c2ccc(-c3nccc4sccc34)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
HTR2B P41595 1/20 0.41
HTR5A P47898 1/20 0.41
TDO2 P48775 1/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA2A P29274 2/20 0.37
LMNA P02545 1/20 0.37
BCHE P06276 2/20 0.36
DHODH Q02127 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2576162 0.96 PDPK1 (0.46) PDPK1HTR2BHTR5ATDO2PDE3B
SCHEMBL29405843 0.96 PDPK1 (0.46) PDPK1HTR2BHTR5ATDO2PDE3B
SCHEMBL21626531 0.89 PDPK1 (0.40) PDPK1HTR2BHTR5ATDO2PDE3B
SCHEMBL12158617 0.83 KDM4E (0.39) HTR2CKDM4ENPC1RAB9AL3MBTL1
SCHEMBL17807493 0.83 PDE3B (0.45) PDE3BPDE3AHTR2CKDM4ELMNA
SCHEMBL16866588 0.81 HTR2B (0.48) HTR2BHTR5AHTR2CKDM4ENPC1
SCHEMBL12158630 0.79 KDM4E (0.45) HTR2CKDM4ENPC1RAB9AALDH1A1
SCHEMBL24795597 0.78 MAPK14 (0.40) KDM4EBCHE
SCHEMBL15684012 0.78 MAP4K4 (0.44) PDPK1HTR2CKDM4ENPC1RAB9A
SCHEMBL24126539 0.76 MAPK1 (0.61) NPC1RAB9AL3MBTL1LMNAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200024294-A1 Organic metal compound and organic light-emitting device INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-01-23 US disclosed
US-20160164007-A1 ORGANIC METAL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2016-06-09 US disclosed
US-20160164007-A1 ORGANIC METAL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2016-06-09 US disclosed
US-20150188060-A1 ORGANOMETALLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICES EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-07-02 US disclosed
US-20150188060-A1 ORGANOMETALLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICES EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-07-02 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 (3 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-20160164007-A1 ORGANIC METAL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME C5, C9, C1S PDPK1 4210/4885HTR2B 1792/4885HTR5A 3911/4885
US-20150188060-A1 ORGANOMETALLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICES EMPLOYING THE SAME DDT, DDC, BMI1 PDPK1 1055/4885HTR2B 2709/4885HTR5A 3433/4885
US-20200024294-A1 Organic metal compound and organic light-emitting device ORC3, C1S, C1R PDPK1 4201/4885HTR2B 1613/4885HTR5A 3866/4885

“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.