SCHEMBL2198916

SCHEMBL2198916

c1ccc(-c2coc(-c3ccccc3-c3nc(-c4ccccc4)co3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 6/20 0.65
ENPP1 P22413 5/20 0.65
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
SMO Q99835 2/20 0.44
GPR55 Q9Y2T6 1/20 0.44
HSD11B1 P28845 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.41
DAGLA Q9Y4D2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
ADORA2A P29274 1/20 0.38

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
SCHEMBL5791777 0.88 ENPP3 (0.57) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL28280566 0.87 ENPP3 (0.56) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL278182 0.87 ENPP3 (0.69) ENPP3ENPP1HSD17B1HSD17B2SMO
Benzene SCHEMBL16781371 0.87 ENPP3 (0.69) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL4431583 0.86 ENPP1 (0.60) ENPP3ENPP1HSD17B1HSD17B2MEN1
Ammonia Solution, Strong SCHEMBL28324709 0.86 ENPP3 (0.55) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL3271684 0.85 ENPP3 (0.72) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL11566150 0.85 ENPP3 (0.72) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL31606598 0.85 ENPP3 (0.67) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL10613607 0.85 ENPP3 (0.50) ENPP3ENPP1HSD17B1HSD17B2SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866110-B1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MFG CO (JP) 2004-10-20 EP claimed
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed
US-20080102311-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-05-01 US disclosed
EP-0866110-B1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MFG CO (JP) 2004-10-20 EP disclosed
US-20010033944-A1 LIGHT-EMITTING MATERIAL FOR ORGANO-ELECTROLUMINESCENCE DEVICE AND FOR ORGANIC ELECTROLUMINESCENCE DEVICE WHICH THE MATERIAL IS APPLIED TOYO INK MANUFACTURING CO., LTD. (JP) 2001-10-25 US disclosed
US-6280859-B1 AROMATIC ELECTROLUMINESCENT MATERIAL OR NONSUBSTITUTED HETEROAROMATIC GROUP OR DIVALENT GROUP TOYO INK MANUFACTURING CO., LTD. (JP) 2001-08-28 US disclosed
EP-0934992-A1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MANUFACTURING CO., LTD. (JP) 1999-08-11 EP disclosed
EP-0866110-A1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MANUFACTURING CO., LTD. (JP) 1998-09-23 EP disclosed
EP-0478599-B1 DETECTION MATERIAL FOR IONIZING RADIATION WALLAC OY (FI) 1996-09-04 EP disclosed
US-5243193-A DETECTION MATERIAL FOR IONIZING RADIATION WALLAC OY (FI) 1993-09-07 US disclosed
EP-0478599-A1 DETECTION MATERIAL FOR IONIZING RADIATION. WALLAC OY (FI) 1992-04-08 EP disclosed
WO-1991009326-A1 ELASTIC SCINTILLATOR MATERIAL WALLAC OY (FI) 1991-06-27 WO disclosed
WO-1990016002-A1 DETECTION MATERIAL FOR IONIZING RADIATION WALLAC OY (FI) 1990-12-27 WO disclosed
EP-0106978-A1 Scintillation liquid compatible with high performance liquid chromatography solvents ALLIED CORPORATION (US) 1984-05-02 EP disclosed
US-4438017-A Scintillation liquid compatible with high performance liquid chromatography solvents ALLIED CORPORATION (US) 1984-03-20 US disclosed
US-4103256-A BLUE-GREEN TO NEAR ULTRAVIOLET THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1978-07-25 US disclosed
US-4103257-A BLUE TO NEAR ULTRAVIOLET THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1978-07-25 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 (2 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-20010033944-A1 LIGHT-EMITTING MATERIAL FOR ORGANO-ELECTROLUMINESCENCE DEVICE AND FOR ORGANIC ELECTROLUMINESCENCE DEVICE WHICH THE MATERIAL IS APPLIED L1CAM, ELP1, CRY1 ENPP3 1487/4885ENPP1 582/4885HSD17B1 3580/4885
US-20080102311-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME L1CAM, EML4, EBPL ENPP3 678/4885ENPP1 568/4885HSD17B1 4824/4885

“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.