SCHEMBL24618054

SCHEMBL24618054

CC(C)(C)Cc1ccc(C(C)(C)I)cc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.38
▸ EPHX2 P34913 2/20 0.33
▸ NR1H4 Q96RI1 2/20 0.33
▸ DAO P14920 1/20 0.31
▸ PDE2A O00408 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ DPP4 P27487 1/20 0.30

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
SCHEMBL18701033 0.85 CYP1A2 (0.43) IDO1EPHX2NR1H4DAOCYP1A2
SCHEMBL2600028 0.83 IDO1 (0.54) IDO1DAOPDE2ASLC6A2SLC6A4
SCHEMBL12775998 0.81 IDO1 (0.38) IDO1EPHX2NR1H4DAOPDE2A
SCHEMBL1704764 0.76 IDO1 (0.48) IDO1DAO
SCHEMBL855374 0.75 TAAR1 (0.35) CYP1A2DPP4
SCHEMBL17726213 0.75 ADRA2B (0.45) IDO1EPHX2NR1H4DPP4
SCHEMBL23790349 0.75 ESR1 (0.43) IDO1DPP4
SCHEMBL9917350 0.73 HTR2A (0.39) IDO1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL13020786 0.73 PYCR1 (0.46) —
SCHEMBL18711204 0.72 ESR1 (0.36) PDE2ACYP1A2DPP4

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-20220223796-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT CONTAINING ORGANIC COMPOUND, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-07-14 — — 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-20220223796-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT CONTAINING ORGANIC COMPOUND, AND ELECTRONIC DEVICE EXOC1, EXOC4, CHRM1 IDO1 2126/4885EPHX2 412/4885NR1H4 4682/4885

“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.

Send feedback