SCHEMBL11906262

SCHEMBL11906262

COc1ccc(OC)c(C(=O)O)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.63
CA1 P00915 3/20 0.63
CA2 P00918 3/20 0.63
CA7 P43166 3/20 0.63
CA9 Q16790 3/20 0.63
CA14 Q9ULX7 3/20 0.63
KDM4E B2RXH2 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
TPMT P51580 1/20 0.48
HTT P42858 3/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
MYC P01106 1/20 0.43
ALOX5 P09917 1/20 0.43
PPARA Q07869 1/20 0.42

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
SCHEMBL31022830 1.00 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL5274887 0.88 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL31643624 0.88 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL8996451 0.86 CA12 (0.74) CA12CA1CA2CA7CA9
SCHEMBL6934301 0.86 CA2 (0.57) CA12CA1CA2CA7CA9
SCHEMBL27822908 0.86 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL24717393 0.84 RAB9A (0.51) CA12CA1CA2CA7CA9
SCHEMBL6825647 0.84 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL5609906 0.84 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL112346 0.84 CA12 (0.55) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290246-B Method for preparing cynanchum bungei benzophenone 贵州省天然产物研究中心 2024-11-29 CN claimed
CN-118290246-A Method for preparing cynanchum bungei benzophenone 贵州省天然产物研究中心 2024-07-05 CN claimed
CN-118290246-B Method for preparing cynanchum bungei benzophenone 贵州省天然产物研究中心 2024-11-29 CN disclosed
CN-118290246-A Method for preparing cynanchum bungei benzophenone 贵州省天然产物研究中心 2024-07-05 CN disclosed
CN-118290246-A Method for preparing cynanchum bungei benzophenone 贵州省天然产物研究中心 2024-07-05 CN disclosed
EP-3275861-A1 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2018-01-31 EP disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
EP-2470500-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-10-04 EP disclosed
EP-2470500-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-10-04 EP disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
WO-2011025982-A2 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-03-03 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-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C CA12 1570/4885CA1 2451/4885CA2 1171/4885
US-20120208788-A1 Tetracycline Compounds TUBA1A, TUBA1C, TUBB1 CA12 1817/4885CA1 2290/4885CA2 1290/4885

“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.