SCHEMBL24344711

SCHEMBL24344711

CSc1c(C)cc(C(C)C)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL24344601 0.81 CYP1A2 (0.38) CYP1A2CYP2D6
SCHEMBL24344713 0.76 POLB (0.41) CYP1A2CYP2D6ADRA2AADRA2BADRA2C
SCHEMBL24344714 0.76 SMN1; SMN2 (0.46) CYP1A2CYP2D6ALDH1A1TP53CYP3A4
SCHEMBL4450533 0.73 CYP2C9 (0.59) CYP1A2CYP2D6ALDH1A1TP53ALOX15
SCHEMBL30467047 0.73 CYP2C9 (0.59) CYP1A2CYP2D6ALDH1A1TP53ALOX15
SCHEMBL22023596 0.73 GAA (0.42) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL24344715 0.70 CYP1A2 (0.38) CYP1A2CYP2D6ADRA2AADRA2CADRA1D
SCHEMBL24344767 0.70 CYP1A2 (0.38) CYP1A2CYP2D6LMNA
SCHEMBL2631798 0.69 SMN1; SMN2 (0.52) CYP1A2CYP2D6ALDH1A1TP53CYP3A4
SCHEMBL22790526 0.68 LMNA (0.54) CYP1A2CYP2D6ALDH1A1SMN1; SMN2HIF1A

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-20220085302-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-03-17 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-20220085302-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LIFR, LBR, EPOR CYP1A2 1500/4885CYP2D6 1945/4885ADRA2A 1377/4885

“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.