SCHEMBL19782040

SCHEMBL19782040

In1c2ccccc2c2ccc3c4ccccc4n(I)c3c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
FTO Q9C0B1 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AA1 P07900 1/20 0.37
IDO1 P14902 1/20 0.37
POLB P06746 2/20 0.37
CYP19A1 P11511 1/20 0.37
BACE1 P56817 2/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL19684328 0.88 ALKBH5 (0.56) GPR3ALKBH5FTOKDM4EATM
SCHEMBL18435756 0.87 GPR3 (0.38) GPR3CYP1A2CYP2C19ALKBH5FTO
SCHEMBL18436032 0.85 HPRT1 (0.44) GPR3CYP1A2CYP2C19ALKBH5FTO
SCHEMBL18435726 0.84 L3MBTL1 (0.59) CYP1A2CYP2C19KDM4EATML3MBTL1
SCHEMBL13357151 0.84 GPR3 (0.52) GPR3CYP1A2CYP2C19ALKBH5FTO
SCHEMBL18435738 0.83 HPRT1 (0.54) GPR3CYP1A2CYP2C19ALKBH5FTO
SCHEMBL20726207 0.82 ALKBH5 (0.41) GPR3CYP1A2CYP2C19ALKBH5FTO
SCHEMBL20115109 0.81 KDM4E (0.52) GPR3CYP1A2CYP2C19ALKBH5FTO
SCHEMBL23346837 0.81 ALDH1A1 (0.41) GPR3CYP1A2CYP2C19ALKBH5FTO
SCHEMBL19937027 0.81 ALKBH5 (0.63) GPR3CYP1A2CYP2C19ALKBH5FTO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180019409-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-01-18 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-20180019409-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OR51E2, OXER1 GPR3 1112/4885CYP1A2 219/4885CYP2C19 81/4885

“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.