SCHEMBL24239786

SCHEMBL24239786

C=C(O)C(C)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
CYP1A2 P05177 2/20 0.53
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.43
TSHR P16473 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CHRM2 P08172 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
KCNA5 P22460 6/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.40
KCNE1 P15382 2/20 0.39
CYP2D6 P10635 1/20 0.39
ABCB11 O95342 1/20 0.38
LMNA P02545 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
SCHEMBL27992715 0.84 CYP1A2 (0.53) CYP3A4CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL8599699 0.82 CYP1A2 (0.55) CYP3A4CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL933349 0.80 CYP3A4 (0.62) CYP3A4CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL4389588 0.80 CYP1A2 (0.53) CYP3A4CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL6264784 0.80 CYP3A4 (0.62) CYP3A4CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL6256359 0.79 CYP1A2 (0.56) CYP3A4CYP1A2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL28672927 0.78 CYP3A4 (0.60) CYP3A4CYP1A2SLC6A2SLC6A4SLC6A3
Hydrogen Sulfide SCHEMBL8052104 0.78 CYP3A4 (0.60) CYP3A4CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL27536605 0.78 CYP1A2 (0.64) CYP3A4CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL3289319 0.76 CYP3A4 (0.62) CYP3A4CYP1A2SLC6A2SLC6A4SLC6A3

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-20220037599-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-02-03 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-20220037599-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE L1CAM, TLL1, TLL2 CYP3A4 660/4885CYP1A2 528/4885SLC6A2 3587/4885

“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.