SCHEMBL3422291

SCHEMBL3422291

Cc1cccc(-c2cccc(-c3cccc(-c4cccc(C)n4)n3)n2)n1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.94
CCR8 P51685 2/20 0.94
METAP2 P50579 1/20 0.59
CYP2A6 P11509 1/20 0.54
NOS3 P29474 1/20 0.52
NOS2 P35228 1/20 0.52
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
ALOX15 P16050 2/20 0.46
LMNA P02545 1/20 0.46
ALPL P05186 1/20 0.46
HSP90AA1 P07900 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
CCR5 P51681 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL3423401 1.00 CCR1 (0.94) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL29388304 0.97 CCR1 (1.00) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL196966 0.97 CCR1 (1.00) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL30511194 0.97 CCR1 (1.00) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL29751919 0.94 CCR1 (0.94) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL20557390 0.94 CCR1 (0.94) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL29751933 0.94 CCR1 (0.94) CCR1CCR8METAP2CYP2A6NOS3
Bromide SCHEMBL4388984 0.92 CCR1 (0.89) CCR1CCR8METAP2CYP2A6NOS3
Hydrochloric Acid SCHEMBL2410509 0.92 CCR1 (0.89) CCR1CCR8METAP2CYP2A6NOS3
Iodide SCHEMBL4384044 0.92 CCR1 (0.89) CCR1CCR8METAP2CYP2A6NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10454042-B2 Organic electroluminescence device UDC IRELAND LIMITED (IE) 2019-10-22 US disclosed
US-20160079545-A1 Organic Electroluminescence Device UDC Ireland (IE) 2016-03-17 US disclosed
US-9287515-B2 Compositions comprising organic and organometallic compounds, and their applications in organic electroluminescence, light emission, display, and illumination devices UDC Ireland (IE) 2016-03-15 US disclosed
EP-1956022-B1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL CO (JP) 2012-07-25 EP disclosed
US-20120153272-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153272-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-04-19 US disclosed
US-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-04-19 US disclosed
US-7993760-B2 Compound for use in organic electroluminescent device and organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-08-09 US disclosed
US-7993760-B2 Compound for use in organic electroluminescent device and organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-08-09 US disclosed
US-20090302742-A1 Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-1956022-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel Chemical Co., Ltd. (JP) 2008-08-13 EP 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-20090302742-A1 Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device LAGE3, ICMT, PPOX CCR1 3138/4885CCR8 4189/4885METAP2 3576/4885
US-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, OR10J3 CCR1 1720/4885CCR8 2460/4885METAP2 1908/4885
US-10454042-B2 Organic electroluminescence device EML4, ELOC, ORC3 CCR1 3292/4885CCR8 3738/4885METAP2 3169/4885

“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.