SCHEMBL29629559

SCHEMBL29629559

COC(=O)c1cc(F)ccc1OC1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.44
EPHX2 P34913 2/20 0.43
KAT2B Q92831 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
RORC P51449 1/20 0.43
PIN1 Q13526 1/20 0.42
GPR6 P46095 2/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4D Q08499 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
TSPO P30536 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.40

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
SCHEMBL24468016 1.00 PDE5A (0.44) PDE5AEPHX2KAT2BBAZ2BRORC
Hydrochloric Acid SCHEMBL2779123 0.89 BCL9 (0.43) GPR6SLC6A3
SCHEMBL2777576 0.87 GPR6 (0.43) EPHX2GPR6PDE4DPDE4APDE4B
SCHEMBL24468017 0.83 KEAP1 (0.47) EPHX2PDE4DPDE4APDE4BPDE4C
SCHEMBL2775449 0.82 GPR119 (0.55) SMN1; SMN2PDE4DPDE4APDE4BPDE4C
SCHEMBL929709 0.82 ABL1 (0.50) PDE5ARORCSLC6A4SLC6A3
SCHEMBL31565679 0.81 PARP1 (0.42) KAT2BBAZ2BRORCPIN1SMN1; SMN2
SCHEMBL24073195 0.81 CFTR (0.54) PDE5ARORCGPR6ALDH1A1HPGD
SCHEMBL30370538 0.81 CFTR (0.54) PDE5ARORCGPR6ALDH1A1HPGD
SCHEMBL20239548 0.81 DDB1 (0.58) PDE5AEPHX2KAT2BBAZ2BDDB1

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-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-06-02 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-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BTK, LYN, LCK PDE5A 1156/4885EPHX2 1851/4885KAT2B 2930/4885

“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.