SCHEMBL38818

SCHEMBL38818

BrCc1ccc(-n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ATM Q13315 1/20 0.59
ALDH1A1 P00352 3/20 0.44
TRPA1 O75762 1/20 0.44
TSHR P16473 1/20 0.44
PTPN1 P18031 2/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP19A1 P11511 1/20 0.39
MAPK8 P45983 2/20 0.39
MAPK9 P45984 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
GPR3 P46089 1/20 0.37
IL1R1 P14778 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL14948475 0.84 MAPT (0.47) L3MBTL1KDM4EATMPTPN1F2
SCHEMBL15431430 0.84 ATM (0.42) L3MBTL1KDM4EATMALDH1A1TRPA1
SCHEMBL4570432 0.83 L3MBTL1 (0.64) L3MBTL1KDM4EATMALDH1A1PTPN1
SCHEMBL13141928 0.83 L3MBTL1 (0.64) L3MBTL1KDM4EATMALDH1A1PTPN1
SCHEMBL4570435 0.83 L3MBTL1 (0.64) L3MBTL1KDM4EATMALDH1A1PTPN1
SCHEMBL13141837 0.83 L3MBTL1 (0.64) L3MBTL1KDM4EATMALDH1A1PTPN1
SCHEMBL46518 0.83 KDM4E (0.42) L3MBTL1KDM4EATMALDH1A1CYP1A2
SCHEMBL31397606 0.82 L3MBTL1 (0.84) L3MBTL1KDM4EATMALDH1A1PTPN1
SCHEMBL77361 0.82 L3MBTL1 (0.84) L3MBTL1KDM4EATMALDH1A1PTPN1
SCHEMBL29462713 0.82 L3MBTL1 (0.84) L3MBTL1KDM4EATMALDH1A1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598450-B2 Emissive compounds for organic light-emitting diodes NITTO DENKO CORPORATION (JP) 2017-03-21 US disclosed
US-9598450-B2 Emissive compounds for organic light-emitting diodes NITTO DENKO CORPORATION (JP) 2017-03-21 US disclosed
US-9598450-B2 Emissive compounds for organic light-emitting diodes NITTO DENKO CORPORATION (JP) 2017-03-21 US disclosed
US-20130087772-A1 EMISSIVE COMPOUNDS FOR ORGANIC LIGHT-EMITTING DIODES NITTO DENKO CORPORATION (JP) 2013-04-11 US disclosed
US-20130087772-A1 EMISSIVE COMPOUNDS FOR ORGANIC LIGHT-EMITTING DIODES NITTO DENKO CORPORATION (JP) 2013-04-11 US disclosed
US-20130087772-A1 EMISSIVE COMPOUNDS FOR ORGANIC LIGHT-EMITTING DIODES NITTO DENKO CORPORATION (JP) 2013-04-11 US disclosed
WO-2011149500-A1 EMISSIVE COMPOUNDS FOR ORGANIC LIGHT-EMITTING DIODES NITTO DENKO CORPORATION (JP) 2011-12-01 WO disclosed
WO-2011149500-A1 EMISSIVE COMPOUNDS FOR ORGANIC LIGHT-EMITTING DIODES NITTO DENKO CORPORATION (JP) 2011-12-01 WO disclosed
US-20090043109-A1 ASYMMETRIC ONE- AND TWO-PHOTON FLUOROPHORES FOR SIMULTANEOUS DETECTION OF MULTIPLE ANALYTES USING A COMMON EXCITATION SOURCE SENSOPATH TECHNOLOGIES, INC. 2009-02-12 US disclosed
US-20090043109-A1 ASYMMETRIC ONE- AND TWO-PHOTON FLUOROPHORES FOR SIMULTANEOUS DETECTION OF MULTIPLE ANALYTES USING A COMMON EXCITATION SOURCE SENSOPATH TECHNOLOGIES, INC. 2009-02-12 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-20130087772-A1 EMISSIVE COMPOUNDS FOR ORGANIC LIGHT-EMITTING DIODES CRY2, PPOX, CRY1 L3MBTL1 1145/4885KDM4E 2868/4885ATM 1259/4885
US-20090043109-A1 ASYMMETRIC ONE- AND TWO-PHOTON FLUOROPHORES FOR SIMULTANEOUS DETECTION OF MULTIPLE ANALYTES USING A COMMON EXCITATION SOURCE ALDH1B1, ALDH2, ALDH3A1 L3MBTL1 1585/4885KDM4E 3911/4885ATM 1530/4885

“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.