SCHEMBL3170397

SCHEMBL3170397

C(=Cc1nccc2ccccc12)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.69
NQO2 P16083 1/20 0.56
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
GLA P06280 4/20 0.54
MAPT P10636 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ATM Q13315 2/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GRM4 Q14833 5/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP2A6 P11509 1/20 0.46
F12 P00748 1/20 0.46
PLAU P00749 1/20 0.46
NCF1 P14598 1/20 0.46
NOS3 P29474 1/20 0.46

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
SCHEMBL3170396 1.00 S100A4 (0.69) S100A4NQO2KDM4EMEN1KMT2A
SCHEMBL29578079 1.00 S100A4 (0.69) S100A4NQO2KDM4EMEN1KMT2A
Heptane SCHEMBL27671681 0.88 S100A4 (0.60) S100A4NQO2KDM4EMEN1KMT2A
SCHEMBL3177553 0.87 S100A4 (0.56) S100A4NQO2KDM4EMEN1KMT2A
SCHEMBL3177548 0.87 S100A4 (0.56) S100A4NQO2KDM4EMEN1KMT2A
SCHEMBL28744620 0.86 S100A4 (0.67) S100A4NQO2KDM4EMEN1KMT2A
SCHEMBL28744965 0.86 S100A4 (0.71) S100A4NQO2KDM4EMEN1KMT2A
SCHEMBL28744967 0.86 S100A4 (0.71) S100A4NQO2KDM4EMEN1KMT2A
SCHEMBL28850020 0.86 S100A4 (0.62) S100A4NQO2KDM4EMEN1KMT2A
SCHEMBL28963804 0.86 S100A4 (0.67) S100A4NQO2KDM4EMEN1KMT2A

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114409595-B 1-Styryl isoquinoline derivative and preparation and application thereof 南华大学附属第一医院 2024-05-14 CN claimed
CN-114409595-A 1-styryl isoquinoline derivative and preparation and application thereof 南华大学附属第一医院 2022-04-29 CN claimed
US-7718277-B2 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY (US) 2010-05-18 US claimed
US-7718087-B2 Organic iridium compositions and their use in electronic devices GENERAL ELECTRIC COMPANY (US) 2010-05-18 US claimed
US-7704610-B2 organic light emitting device comprising deuterated organic iridium complex; optoelectronic devices, photovoltaic devices; enhanced color properties and light output efficiencies GENERAL ELECTRIC COMPANY (US) 2010-04-27 US claimed
US-20100090586-A1 ELECTRONIC DEVICES COMPRISING ORGANIC IRIDIUM COMPOSITIONS GENERAL ELECTRIC COMPANY 2010-04-15 US claimed
US-7695640-B2 Organic iridium compositions and their use in electronic devices GENERAL ELECTRIC COMPANY (US) 2010-04-13 US claimed
US-7691292-B2 organic light emitters; photovoltaic cells; electrophosphorescent GENERAL ELECTRIC COMPANY (US) 2010-04-06 US claimed
US-7691494-B2 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY (US) 2010-04-06 US claimed
EP-1107063-B1 Photobleachable compounds containing photopolymerizable compositions for use in flexographic printing plates DU PONT (US) 2010-03-10 EP claimed
US-20100051869-A1 ORGANIC IRIDIUM COMPOSITIONS AND THEIR USE IN ELECTRONIC DEVICES GENERAL ELECTRIC COMPANY 2010-03-04 US claimed
CN-101535324-A Organic iridium compositions and their use in electronic devices GEN ELECTRIC (US) 2009-09-16 CN claimed
EP-2049555-A2 ORGANIC IRIDIUM COMPOSITIONS AND THEIR USE IN ELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2009-04-22 EP claimed
US-20080023672-A1 Organic iridium compositions and their use in electronic devices GENERAL ELECTRIC COMPANY 2008-01-31 US claimed
US-20080026249-A1 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY 2008-01-31 US claimed
US-20080026250-A1 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY 2008-01-31 US claimed
US-20080023671-A1 Organic iridium compositions and their use in electronic devices GENERAL ELECTRIC COMPANY 2008-01-31 US claimed
WO-2008014037-A2 ORGANIC IRIDIUM COMPOSITIONS AND THEIR USE IN ELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2008-01-31 WO claimed
US-6864039-B2 Such as naphthylvinyl-pyridine; for improved heat stability and image resolution E.I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-08 US claimed
US-5889018-A ADMINISTERING TO THE PATIENT SUFFERING FROM ANXIETY A 1-STYRYLISOQUINOLINE COMPOUND AS AN ANXIOLYTIC AGENT EGIS GYOGYSZERGYAR RT. (HU) 1999-03-30 US claimed

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-20100051869-A1 ORGANIC IRIDIUM COMPOSITIONS AND THEIR USE IN ELECTRONIC DEVICES OCIAD1, OCIAD2, OXER1 S100A4 385/4885NQO2 4060/4885KDM4E 1897/4885

“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.