SCHEMBL3225066

SCHEMBL3225066

Cc1ccc2cc(C)c3ccc(C)nc3c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.58
RAB9A P51151 3/20 0.58
CCR5 P51681 3/20 0.58
OPRK1 P41145 1/20 0.52
KMT2A Q03164 1/20 0.52
CCR8 P51685 3/20 0.46
KDM4E B2RXH2 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 4/20 0.43
METAP2 P50579 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
AGTR1 P30556 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL16690878 0.89 CCR1 (0.62) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL23406929 0.83 CCR1 (0.54) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL27816955 0.83 KDM4E (0.56) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL459073 0.81 KDM4E (0.61) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL17051648 0.81 CCR1 (0.74) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL27836480 0.81 CCR1 (0.74) CCR1CCR5OPRK1KMT2ACCR8
SCHEMBL10699895 0.79 CCR1 (0.54) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL4586663 0.79 CCR1 (0.60) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL10700262 0.79 MAPT (0.62) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL862358 0.78 CCR1 (0.65) CCR1RAB9ACCR5OPRK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100060152-A1 PHENANTHROLINE COMPOUNDS AND ELECTROLUMINESCENT DEVICES USING THE SAME MERCK PATENT GMBH (DE) 2010-03-11 US claimed
CN-101574017-A Phenanthroline compounds and electroluminescent devices using the same OLED T LTD (DE) 2009-11-04 CN claimed
EP-2092794-A1 PHENANTHROLINE COMPOUNDS AND ELECTROLUMINESCENT DEVICES USING THE SAME MERCK PATENT GmbH (DE) 2009-08-26 EP claimed
WO-2008078115-A1 PHENANTHROLINE COMPOUNDS AND ELECTROLUMINESCENT DEVICES USING THE SAME MERCK PATENT GMBH (DE) 2008-07-03 WO claimed
WO-2014108430-A1 THERMALLY ACTIVATED FLUORESCENCE AND SINGLET HARVESTING WITH RIGID METAL COMPLEXES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2014-07-17 WO disclosed
US-8642188-B2 Phenanthroline compounds and electroluminescent devices using the same MERCK PATENT GMBH (DE) 2014-02-04 US disclosed
CN-101574017-B Phenanthroline compounds and electroluminescent devices using the same MERCK PATENT GMBH 2013-03-13 CN disclosed
US-20100060152-A1 PHENANTHROLINE COMPOUNDS AND ELECTROLUMINESCENT DEVICES USING THE SAME MERCK PATENT GMBH (DE) 2010-03-11 US disclosed
CN-101574017-A Phenanthroline compounds and electroluminescent devices using the same OLED T LTD (DE) 2009-11-04 CN disclosed
EP-2092794-A1 PHENANTHROLINE COMPOUNDS AND ELECTROLUMINESCENT DEVICES USING THE SAME MERCK PATENT GmbH (DE) 2009-08-26 EP disclosed
WO-2008078115-A1 PHENANTHROLINE COMPOUNDS AND ELECTROLUMINESCENT DEVICES USING THE SAME MERCK PATENT GMBH (DE) 2008-07-03 WO disclosed
US-4021261-A 5-METHYL-1,10-PHENANTROLINE OLIN CORPORATION (US) 1977-05-03 US disclosed
US-3951833-A Method for preserving functional fluids and liquid hydrocarbon fuels with selected 1,10-phenanthrolines OLIN CORPORATION (US) 1976-04-20 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 (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-20100060152-A1 PHENANTHROLINE COMPOUNDS AND ELECTROLUMINESCENT DEVICES USING THE SAME NR1H2, NR1H3, NR1D2 CCR1 1266/4885RAB9A 2890/4885CCR5 1789/4885

“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.