SCHEMBL798745

SCHEMBL798745

CC(C)c1ccccc1OC1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.52
BAZ2B Q9UIF8 1/20 0.52
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
SYK P43405 1/20 0.42
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PDE10A Q9Y233 1/20 0.40
PDE4D Q08499 6/20 0.39
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
USP1 O94782 1/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
HTR1A P08908 1/20 0.37
NISCH Q9Y2I1 2/20 0.36
P2RX3 P56373 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
SCHEMBL24498738 0.90 KAT2B (0.43) KAT2BBAZ2BADRB2ADRB1ADRB3
SCHEMBL22871103 0.88 ADRA2A (0.44) KAT2BBAZ2BADRB2ADRB1ADRB3
SCHEMBL22040926 0.84 KAT2B (0.45) KAT2BBAZ2BADRB2ADRB1ADRB3
SCHEMBL15077043 0.84 PDE4A (0.42) ADRB2ADRB1ADRB3PDE3BPDE3A
SCHEMBL8059443 0.83 KAT2B (0.49) KAT2BBAZ2BSYKPDE4DPDE4A
SCHEMBL22426537 0.83 CARM1 (0.43) ADRB2ADRB1ADRB3PDE3BPDE3A
SCHEMBL24498230 0.83 NISCH (0.40) KAT2BBAZ2BADRB2ADRB1ADRB3
SCHEMBL17972910 0.83 CARM1 (0.43) ADRB2ADRB1ADRB3PDE3BPDE3A
SCHEMBL24499265 0.81 SYK (0.48) KAT2BBAZ2BSYKPDE4DPDE4A
SCHEMBL3126948 0.80 HTR1A (0.43) KAT2BBAZ2BADRB2ADRB1ADRB3

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
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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 (3 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 KAT2B 4291/4885BAZ2B 3717/4885ADRB2 3343/4885
US-20220177462-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 KAT2B 2804/4885BAZ2B 1374/4885ADRB2 4447/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 KAT2B 2407/4885BAZ2B 2212/4885ADRB2 4278/4885

“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.