SCHEMBL24933495

SCHEMBL24933495

CC(=O)C(C)(S)Cc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP2A6 P11509 1/20 0.46
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC13A5 Q86YT5 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
CASR P41180 2/20 0.40
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40
TACR1 P25103 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
SCHEMBL1221957 0.81 MMP8 (0.44) CYP1A2CYP2A6MMP1MMP9MMP13
SCHEMBL20067118 0.77 CYP1A2 (0.50) CYP1A2CYP2A6MMP1MMP9MMP13
SCHEMBL4610682 0.77 CYP1A2 (0.50) CYP1A2CYP2A6MMP1MMP9MMP13
SCHEMBL4609311 0.76 ACACB (0.51) CYP1A2CYP2A6MMP1MMP9MMP13
SCHEMBL808935 0.75 CYP1A2 (0.55) CYP1A2CYP2A6MMP1MMP9MMP13
SCHEMBL4610461 0.75 CYP1A2 (0.55) CYP1A2CYP2A6MMP1MMP9MMP13
SCHEMBL27505142 0.75 CYP1A2 (0.43) CYP1A2CYP2A6MMP1MMP9MMP13
SCHEMBL19341333 0.75 CYP2A6 (0.59) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL16005355 0.74 MMP1 (0.46) CYP1A2CYP2A6MMP1MMP9MMP13
SCHEMBL8939501 0.74 CYP1A2 (0.62) CYP1A2CYP2A6MMP1MMP9MMP13

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-20230020092-A1 COMPOSITIONS FOR DELIVERY OF ANTISENSE COMPOUNDS ENTRADA THERAPEUTICS, INC. 2023-01-19 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-20230020092-A1 COMPOSITIONS FOR DELIVERY OF ANTISENSE COMPOUNDS HNRNPAB, SNRPE, HNRNPA2B1 CYP1A2 4884/4885CYP2A6 4860/4885MMP1 2215/4885

“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.