Sugi Predict

Sugi Predict / Compounds / SCHEMBL23761306

SCHEMBL23761306

SCHEMBL23761306

CC(C)c1ccccc1OC(C)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 3/20 0.44
▸ ADRA2B P18089 3/20 0.44
▸ ADRA2C P18825 3/20 0.44
▸ NISCH Q9Y2I1 2/20 0.44
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HTR1A P08908 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRL1 P41146 1/20 0.36

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
SCHEMBL24224738 0.80 HPGD (0.57) ADRA2AADRA2BADRA2CNISCHMEN1
SCHEMBL24180112 0.79 ADRA2B (0.44) ADRA2AADRA2BADRA2CHPGDALDH1A1
SCHEMBL8245039 0.78 NISCH (0.49) ADRA2AADRA2BADRA2CNISCHMEN1
SCHEMBL18706901 0.77 ADRA2A (0.43) ADRA2AADRA2BADRA2CKMT2AHPGD
Hydrogen Sulfide SCHEMBL27992927 0.77 NISCH (0.47) ADRA2AADRA2BADRA2CNISCHMEN1
SCHEMBL15077043 0.76 PDE4A (0.42) ADRA2AADRA2BADRA2CNISCHADRB2
SCHEMBL17972910 0.75 CARM1 (0.43) ADRA2AADRA2BADRA2CNISCHADRB2
SCHEMBL22426537 0.75 CARM1 (0.43) ADRA2AADRA2BADRA2CNISCHADRB2
SCHEMBL20472452 0.75 TACR1 (0.39) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL29786531 0.75 TACR1 (0.39) ADRA2AADRA2BADRA2CMEN1KMT2A

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-20230139111-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-05-04 — — US disclosed
US-20220177462-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-06-09 — — US disclosed
WO-2021160109-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 劲方医药科技(上海)有限公司 2021-08-19 — — WO 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-20230139111-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF RIPK1, RIPK4, RIPK3 ADRA2A 3708/4885ADRA2B 3332/4885ADRA2C 3786/4885
US-20220177462-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 ADRA2A 4504/4885ADRA2B 4696/4885ADRA2C 4631/4885

“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.