SCHEMBL3422110

SCHEMBL3422110

Cc1cccc(-c2cnc(-c3cccc(C)c3)cn2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.58
METAP2 P50579 1/20 0.58
ACHE P22303 2/20 0.57
HSD17B1 P14061 1/20 0.57
HSD17B2 P37059 1/20 0.57
BCHE P06276 1/20 0.57
KDM1A O60341 1/20 0.54
KMO O15229 2/20 0.50
ATR Q13535 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.46
XDH P47989 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL23601607 0.92 KDM1A (0.53) IDO1METAP2ACHEHSD17B1HSD17B2
SCHEMBL16826157 0.89 KDM1A (0.50) IDO1METAP2ACHEHSD17B1HSD17B2
SCHEMBL23601695 0.86 BCHE (0.47) IDO1METAP2ACHEHSD17B1HSD17B2
SCHEMBL23601693 0.86 KDR (0.48) IDO1METAP2ACHEHSD17B1HSD17B2
SCHEMBL24636033 0.86 BCHE (0.47) IDO1METAP2ACHEHSD17B1HSD17B2
SCHEMBL13680658 0.86 BCHE (0.47) IDO1METAP2ACHEHSD17B1HSD17B2
SCHEMBL12797772 0.85 CYP3A4 (0.59) IDO1METAP2ACHEHSD17B1HSD17B2
SCHEMBL12973163 0.85 HSD17B1 (0.59) IDO1METAP2ACHEHSD17B1HSD17B2
SCHEMBL16906667 0.84 SDHB (0.51) IDO1METAP2ACHEHSD17B1HSD17B2
SCHEMBL23601694 0.84 KDM1A (0.50) IDO1METAP2ACHEHSD17B1HSD17B2

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 IDO1 146/4885METAP2 3576/4885ACHE 56/4885
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 IDO1 930/4885METAP2 1908/4885ACHE 367/4885
US-10454042-B2 Organic electroluminescence device EML4, ELOC, ORC3 IDO1 86/4885METAP2 3169/4885ACHE 359/4885

“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.