SCHEMBL19373371

SCHEMBL19373371

Cc1cc(-c2ccccc2C)ncc1CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 14/20 0.42
CYP2C19 P33261 10/20 0.42
CYP2D6 P10635 8/20 0.42
CYP3A4 P08684 8/20 0.42
CLK4 Q9HAZ1 7/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 4/20 0.40
MAPK1 P28482 4/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
METAP2 P50579 2/20 0.39
IDO1 P14902 1/20 0.39
USP2 O75604 1/20 0.38
APEX1 P27695 1/20 0.38
CASP7 P55210 1/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL18729458 0.91 CYP1A2 (0.45) CYP1A2CYP2C19CYP2D6CYP3A4CLK4
SCHEMBL25984037 0.86 HTR7 (0.40) ALOX5APFEN1
SCHEMBL18730751 0.83 LDHA (0.50) CYP3A4ALDH1A1IDO1MEN1KMT2A
SCHEMBL23879672 0.82 NOS3 (0.49) CYP1A2CYP2C19CYP2D6CYP3A4CLK4
SCHEMBL25444864 0.81 LDHA (0.40) CYP3A4ALDH1A1MEN1KMT2AMAPT
SCHEMBL24066580 0.80 LDHA (0.40) CYP1A2CYP2C19CYP3A4NPC1RAB9A
SCHEMBL18729519 0.80 CYP1A2 (0.37) CYP1A2CYP2C19CYP2D6CYP3A4CLK4
SCHEMBL25836048 0.79 CYP1A2 (0.36) CYP1A2CYP2C19CYP2D6CYP3A4CLK4
SCHEMBL25983061 0.79 CYP1A2 (0.35) CYP1A2CYP2C19CYP2D6CYP3A4CLK4
SCHEMBL23189495 0.78 CYP1A2 (0.42) CYP1A2CYP2C19CYP2D6CYP3A4CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348509-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-02 US disclosed
US-20230225184-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-07-13 US disclosed
EP-3220439-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2017-09-20 EP 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-20230225184-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ESRRG, TECR, OXSR1 CYP1A2 1269/4885CYP2C19 427/4885CYP2D6 1598/4885
US-20230348509-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MLX, OCIAD1, LBR CYP1A2 1810/4885CYP2C19 2385/4885CYP2D6 2294/4885

“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.