SCHEMBL7753553

SCHEMBL7753553

CC(C)(C)OC(=O)c1c(O)cccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.59
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
CA9 Q16790 5/20 0.59
CA14 Q9ULX7 5/20 0.59
CA7 P43166 4/20 0.59
THRB P10828 2/20 0.52
GRM6 O15303 1/20 0.44
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
SLC7A5 Q01650 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ATM Q13315 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2220768 0.91 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL17374999 0.89 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL2718238 0.89 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL6349586 0.89 CA12 (0.45) CA12CA1CA2CA9CA14
SCHEMBL27507813 0.86 CA1 (0.48) CA12CA1CA2CA9CA14
SCHEMBL2222157 0.85 CA12 (0.44) CA12CA1CA2CA9CA14
SCHEMBL1905153 0.85 CA1 (0.44) CA12CA1CA2CA9CA14
SCHEMBL22339912 0.83 CA12 (0.51) CA12CA1CA2CA9CA14
SCHEMBL13414067 0.81 NR1H2 (0.55) ALDH1A1MEN1KMT2AHSD17B10TDP1
SCHEMBL6577373 0.81 GRM6 (0.43) CA12CA1CA2CA9CA14

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230114728-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2023-04-13 US disclosed
WO-2021108023-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-03 WO disclosed
WO-2021108023-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-03 WO disclosed
CN-105706000-B Positive type photosensitive organic compound, used it film manufacturing method and electronic component 中央硝子株式会社 2019-09-27 CN disclosed
CN-105706000-A Positive photosensitive resin composition, method for producing film using same, and electronic component 中央硝子株式会社 2016-06-22 CN disclosed
US-20010029239-A1 New herbicidal compositions CRAMP MICHAEL COLIN (GB) 2001-10-11 US disclosed
WO-2001047863-A2 NEW HERBICIDAL COMPOSITIONS AVENTIS CROPSCIENCE SA (FR) 2001-07-05 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-20010029239-A1 New herbicidal compositions DDT, CYP1B1, CYP4X1 CA12 4289/4885CA1 2370/4885CA2 1056/4885
US-20230114728-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL CA12 3028/4885CA1 3021/4885CA2 2155/4885

“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.