SCHEMBL21274580

SCHEMBL21274580

COC(=O)c1cc(OC)c(O)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
POLB P06746 4/20 0.47
HTT P42858 2/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
GAA P10253 5/20 0.44
LMNA P02545 3/20 0.44
NFKB1 P19838 1/20 0.44
XDH P47989 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL22206936 0.87 KDM4E (0.61) KDM4EPOLBHTTGAAHSD17B10
SCHEMBL29752804 0.85 KDM4E (0.55) KDM4EPOLBHTTGAALMNA
SCHEMBL21274815 0.85 KDM4E (0.55) KDM4EPOLBHTTGAALMNA
SCHEMBL13027985 0.85 KDM4E (0.58) KDM4EPOLBHTTCA12CA1
SCHEMBL22222148 0.85 CA12 (0.50) KDM4EPOLBCA12CA1CA2
SCHEMBL21274816 0.84 LCK (0.50) KDM4EHTTCA12CA1CA2
SCHEMBL1498783 0.84 HTT (0.61) KDM4EHTTGAALMNAHSD17B10
SCHEMBL70148 0.83 CA12 (0.40) KDM4EPOLBHTTCA12CA1
SCHEMBL23906095 0.83 CA12 (0.48) KDM4EPOLBCA12CA1CA2
SCHEMBL17184697 0.82 KDM4E (0.51) KDM4EPOLBHTTGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111868055-B Inhibitors of TRPC6 勃林格殷格翰国际有限公司 2024-03-08 CN disclosed
US-11370771-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-28 US disclosed
US-11370771-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-28 US disclosed
US-20210053935-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
US-20210053935-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
EP-3752503-A1 INHIBITORS OF TRPC6 Boehringer Ingelheim International GmbH (DE) 2020-12-23 EP disclosed
CN-111868055-A Inhibitors of TRPC6 勃林格殷格翰国际有限公司 2020-10-30 CN disclosed
WO-2019161010-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 WO disclosed
WO-2019161010-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 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-20210053935-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC4 KDM4E 3468/4885POLB 4492/4885HTT 209/4885
US-11370771-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC4 KDM4E 3468/4885POLB 4492/4885HTT 209/4885

“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.