SCHEMBL21950993

SCHEMBL21950993

CCOc1ccc2cc(C(C)=O)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 6/20 0.59
CA12 O43570 5/20 0.59
CA7 P43166 5/20 0.59
CA1 P00915 4/20 0.59
CA5B Q9Y2D0 4/20 0.59
CA4 P22748 4/20 0.59
CA6 P23280 4/20 0.59
CA14 Q9ULX7 4/20 0.59
CA5A P35218 3/20 0.59
CYP1A2 P05177 1/20 0.59
ALDH1A1 P00352 8/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 2/20 0.54
GLA P06280 4/20 0.53
POLB P06746 2/20 0.51
MAOB P27338 4/20 0.48
CA2 P00918 4/20 0.48
GAA P10253 5/20 0.47
HPGD P15428 6/20 0.47
KDM4E B2RXH2 5/20 0.47

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
SCHEMBL1390768 0.88 CA9 (0.49) CA9CA12CA7CA1CA5B
SCHEMBL1391034 0.83 SLC16A3 (0.65) CA9CA12CA7CA1CA5B
SCHEMBL18551620 0.83 LMNA (0.49) CA9CA12CA7CA1CA5B
SCHEMBL1287537 0.83 ALDH1A1 (0.66) CA9CA12CA7CA1CA4
SCHEMBL21771302 0.82 HPGD (0.46) CA9CA12CA7CA1CA5B
SCHEMBL3825039 0.81 CA2 (0.65) CA9CA12ALDH1A1SMN1; SMN2RAB9A
SCHEMBL22059557 0.81 ALDH1A1 (0.72) CA9CA12CA7CA1CA5B
SCHEMBL10508106 0.81 ALDH1A1 (0.47) CA9CA12CA7CA1CA5B
SCHEMBL1391084 0.81 ALDH1A1 (0.55) CA12CA7CA1CA5BCA4
SCHEMBL1390873 0.80 CA9 (0.43) CA9CA12CA7CA1CA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653613-B1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF BEBETTER MED INC (CN) 2022-11-16 EP disclosed
US-11306102-B2 1,3-di-substituted ketene compound and application thereof BEBETTER MED INC. (CN) 2022-04-19 US disclosed
US-20210122761-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF BEBETTER MED INC. (CN) 2021-04-29 US disclosed
EP-3653613-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF Guangzhou Bebetter Medicine Technology Co., Ltd. (CN) 2020-05-20 EP 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-20210122761-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF PPARA, FABP1, PPARG CA9 4822/4885CA12 4825/4885CA7 4873/4885
US-11306102-B2 1,3-di-substituted ketene compound and application thereof PPARA, FABP1, PPARG CA9 4822/4885CA12 4825/4885CA7 4873/4885

“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.