SCHEMBL20951663

SCHEMBL20951663

CC1(C)Cc2cc(F)ccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
SRD5A1 P18405 3/20 0.41
ACHE P22303 1/20 0.39
GRM1 Q13255 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MALT1 Q9UDY8 1/20 0.37
PGR P06401 1/20 0.36
AKR1B1 P15121 1/20 0.36
TDP2 O95551 1/20 0.36
PARP1 P09874 2/20 0.35
PARP10 Q53GL7 1/20 0.35
CES1 P23141 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2390689 0.85 ACHE (0.46) CA1CA2CA7CA9SRD5A1
SCHEMBL9589413 0.82 SRD5A1 (0.45) CA1CA2CA7CA9SRD5A1
SCHEMBL10908106 0.82 CA1 (0.41) CA1CA2CA7CA9SRD5A1
SCHEMBL5288032 0.80 MAPK14 (0.56) ALDH1A1
SCHEMBL5320166 0.80 TDP2 (0.33) CA1CA2CA7CA9GRM1
SCHEMBL12310527 0.79 METAP1 (0.44) CA1CA2CA7CA9SRD5A1
SCHEMBL5293741 0.78 MAPK14 (0.58)
SCHEMBL1500161 0.78 TDP2 (0.46) CA1CA2CA7CA9SRD5A1
SCHEMBL20950906 0.78 CASP1 (0.47) CA9GRM1ALDH1A1TDP2PARP1
SCHEMBL21131588 0.78 ALDH1A1 (0.46) CA1CA2CA7CA9SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115052863-B Azole derivative, process for producing azole derivative, agricultural/horticultural agent, and industrial material protective agent 株式会社吴羽 2023-04-28 CN disclosed
CN-115052863-A Azole derivative, process for producing azole derivative, and agricultural and horticultural chemical agent and industrial material protective agent 株式会社吴羽 2022-09-13 CN disclosed
EP-3447045-B9 1-(1-HYDROXY-2,3-DIHYDRO-1H-INDEN-5-YL)-UREA DERIVATIVES AND RELATED COMPOUNDS KCNQ 2-5 CHANNEL ACTIVATORS FOR TREATING DYSURIA ONO PHARMACEUTICAL CO (JP) 2021-07-21 EP disclosed
EP-3447045-B1 1-(1-HYDROXY-2,3-DIHYDRO-1H-INDEN-5-YL)-UREA DERIVATIVES AND RELATED COMPOUNDS KCNQ 2-5 CHANNEL ACTIVATORS FOR TREATING DYSURIA ONO PHARMACEUTICAL CO (JP) 2021-03-03 EP disclosed
US-20190127320-A1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2019-05-02 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-20190127320-A1 KCNQ2-5 CHANNEL ACTIVATOR KCNQ5, KCNQ2, KCNQ1 CA1 2732/4885CA2 501/4885CA7 2471/4885

“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.