SCHEMBL6558799

SCHEMBL6558799

CCOC(=O)C(=O)C(C(=O)OCC)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.64
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
TSHR P16473 2/20 0.48
PIN1 Q13526 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SRC P12931 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL10965475 0.98 MMP8 (0.62) MMP8MEN1KMT2ANPC1CA12
SCHEMBL11228401 0.90 MMP8 (0.55) MMP8MEN1KMT2ANPC1CA12
SCHEMBL11228384 0.88 MMP8 (0.66) MMP8MEN1KMT2ANPC1CA12
SCHEMBL266419 0.87 MMP8 (0.74) MMP8MEN1KMT2ANPC1CA12
SCHEMBL31069943 0.85 MMP8 (0.72) MMP8MEN1KMT2ANPC1CA12
SCHEMBL28674585 0.85 MMP8 (0.72) MMP8MEN1KMT2ANPC1CA12
SCHEMBL3496188 0.85 MMP8 (0.51) MMP8MEN1KMT2ANPC1TSHR
SCHEMBL1275691 0.84 MMP8 (0.70) MMP8MEN1KMT2ANPC1CA12
SCHEMBL5141949 0.83 MMP8 (0.45) MMP8MEN1KMT2ANPC1TSHR
SCHEMBL6959479 0.82 MMP8 (0.68) MMP8MEN1KMT2ANPC1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119193-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Ivan Aleksandrovich Starikov 2019-04-25 US disclosed
US-20190119193-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Ivan Aleksandrovich Starikov 2019-04-25 US disclosed
EP-3473098-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Gorbunov, Sergei Valeryevich (RU) 2019-04-24 EP disclosed
EP-3473098-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Gorbunov, Sergei Valeryevich (RU) 2019-04-24 EP disclosed
EP-0768895-B1 CAMPTOTHECIN DRUG COMBINATIONS AND MEDICAMENTS WITH REDUCED SIDE EFFECTS ARCH DEV CORP (US) 2004-09-22 EP disclosed
EP-1104397-B1 METHOD FOR PRODUCING ATROPIC ACID ETHYL ESTER BASF AG (DE) 2004-03-03 EP disclosed
US-6509493-B1 Method for producing atropic acid ethyl ester KNOLL AKTIENGESELLSCHAFT (DE) 2003-01-21 US disclosed
US-20020016293-A1 Flavopiridol drug combinations and methods with reduced side effects NIH - DEITR 2002-02-07 US disclosed
WO-2001080896-A2 FLAVOPIRIDOL DRUG COMBINATIONS AND METHODS WITH REDUCED SIDE EFFECTS ARCH DEVELOPMENT CORPORATION (US) 2001-11-01 WO disclosed
EP-1104397-A1 METHOD FOR PRODUCING ATROPIC ACID ETHYL ESTER KNOLL AKTIENGESELLSCHAFT (DE) 2001-06-06 EP disclosed
WO-2000009469-A1 METHOD FOR PRODUCING ATROPIC ACID ETHYL ESTER KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-24 WO disclosed
US-5786344-A ADMINISTERING WITH AGENT WHICH INCREASES ACTIVITY OF GLUCURONOSYLTRANSFERASE OR DECREASES ACTIVITY OF BILIARY TRANSPORT PROTEIN ARCH DEVELOPMENT CORPORATION (US) 1998-07-28 US disclosed
EP-0768895-A1 CAMPTOTHECIN DRUG COMBINATIONS AND MEDICAMENTS WITH REDUCED SIDE EFFECTS ARCH DEVELOPMENT CORPORATION (US) 1997-04-23 EP disclosed
WO-1996001127-A1 CAMPTOTHECIN DRUG COMBINATIONS AND MEDICAMENTS WITH REDUCED SIDE EFFECTS ARCH DEVELOPMENT CORPORATION (US) 1996-01-18 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-20190119193-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF OGDH, GOT1, OAT MMP8 4307/4885MEN1 2820/4885KMT2A 1903/4885
US-20020016293-A1 Flavopiridol drug combinations and methods with reduced side effects UGT1A1, UGT1A3, CYP7A1 MMP8 924/4885MEN1 4680/4885KMT2A 3573/4885

“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.