SCHEMBL670168

SCHEMBL670168

COc1cc(C(=O)CCO)cc(OC)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA3 P07451 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA5A P35218 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
LMNA P02545 1/20 0.58
PTGS2 P35354 2/20 0.50
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
CTNNB1 P35222 2/20 0.46
WNT3A P56704 2/20 0.46

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
SCHEMBL19398373 0.90 PKM (0.47) PKMCA12CA1CA2CA3
SCHEMBL15171963 0.89 PKM (0.46) PKMCA12CA1CA2CA3
SCHEMBL624796 0.85 PKM (0.58) PKMCA12CA1CA2CA3
SCHEMBL1260982 0.85 PKM (0.62) PKMCA12CA1CA2CA3
SCHEMBL24375930 0.84 PKM (0.56) PKMCA12CA1CA2CA3
SCHEMBL9702085 0.81 PKM (0.62) PKMCA12CA1CA2CA3
SCHEMBL4545341 0.81 SLC22A6 (0.64) KDM4EALDH1A1KMT2AGAACTNNB1
SCHEMBL29595420 0.81 SLC22A6 (0.64) KDM4EALDH1A1KMT2AGAACTNNB1
SCHEMBL29060617 0.80 CTNNB1 (0.71) CA12CA1CA2CA4CA6
SCHEMBL30092278 0.80 CTNNB1 (0.71) CA12CA1CA2CA4CA6

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116298043-A Screening method of inonotus obliquus active action quality markers and construction and application of chemical characterization map thereof 哈尔滨商业大学 2023-06-23 CN claimed
EP-3106522-B1 METHOD FOR PRODUCING PHENYL PROPANE-BASED COMPOUNDS USING ENZYMES JAPAN AGENCY MARINE EARTH SCI (JP) 2021-09-22 EP claimed
EP-3106523-B1 METHOD FOR PRODUCING PHENYL PROPANE-BASED COMPOUND USING MICRO-ORGANISMS JAPAN AGENCY MARINE EARTH SCI (JP) 2021-06-23 EP claimed
EP-3106523-A1 METHOD FOR PRODUCING PHENYL PROPANE-BASED COMPOUND USING MICRO-ORGANISMS Japan Agency for Marine-Earth Science and Technology (JP) 2016-12-21 EP claimed
EP-3106522-A1 METHOD FOR PRODUCING PHENYL PROPANE-BASED COMPOUNDS USING ENZYMES Japan Agency for Marine-Earth Science and Technology (JP) 2016-12-21 EP claimed
US-20160348136-A1 METHOD FOR PRODUCING PHENYL PROPANE-BASED COMPOUNDS USING ENZYMES JAPAN AGENCY FOR MARINE-EARTH SCIENCE AND TECHNOLOGY (JP) 2016-12-01 US claimed
US-20160348135-A1 METHOD FOR PRODUCING PHENYL PROPANE-BASED COMPOUND USING MICROORGANISMS JAPAN AGENCY FOR MARINE-EARTH SCIENCE AND TECHNOLOGY (JP) 2016-12-01 US claimed
US-20150090252-A1 APPARATUS AND PROCESS FOR PASTEURIZATION OF SAP AND PRODUCT THEREOF FEDERATION DES PRODUCTEURS ACERICOLES DU QUEBEC (CA) 2015-04-02 US claimed
US-20130310332-A1 MAPLE TREE-DERIVED PRODUCTS AND USES THEREOF UNIVERSITY OF RHODE ISLAND (US) 2013-11-21 US claimed
US-20130267474-A1 NOVEL PHYTOCHEMICALS FROM EXTRACTS OF MAPLE SYRUPS AND MAPLE TREES AND USES THEREOF UNIVERSITY OF RHODE ISLAND (US) 2013-10-10 US claimed
WO-2012122639-A1 APPARATUS AND PROCESS FOR PASTEURIZATION OF SAP AND PRODUCT THEREOF FÉDÉRATION DES PRODUCTEURS ACÉRICOLES DU QUÉBEC (CA) 2012-09-20 WO claimed
WO-2012055010-A1 MAPLE TREE-DERIVED PRODUCTS AND USES THEREOF FÉDÉRATION DES PRODUCTEURS ACÉRICOLES DU QUÉBEC (CA) 2012-05-03 WO claimed
WO-2012021981-A1 NOVEL PHYTOCHEMICALS FROM EXTRACTS OF MAPLE SYRUPS AND MAPLE TREES AND USES THEREOF FÉDÉRATION DES PRODUCTEURS ACÉRICOLES DU QUÉBEC (CA) 2012-02-23 WO claimed
US-11826396-B2 Nutriprotective diet FEDERATION DES PRODUCTEURS ACERICOLES DU QUEBEC (CA) 2023-11-28 US disclosed
CN-116785331-A Application of sweetsop seed extract in preparation of medicine for regulating and controlling biological rhythm 浙江大学 2023-09-22 CN disclosed
CN-116298043-A Screening method of inonotus obliquus active action quality markers and construction and application of chemical characterization map thereof 哈尔滨商业大学 2023-06-23 CN disclosed
WO-2012055010-A1 MAPLE TREE-DERIVED PRODUCTS AND USES THEREOF FÉDÉRATION DES PRODUCTEURS ACÉRICOLES DU QUÉBEC (CA) 2012-05-03 WO disclosed
WO-2012021983-A1 SUGAR PLANT DERIVED BY-PRODUCTS AND METHODS OF PRODUCTION THEREOF FÉDÉRATION DES PRODUCTEURS ACÉRICOLES DU QUÉBEC (CA) 2012-02-23 WO disclosed
WO-2012021983-A1 SUGAR PLANT DERIVED BY-PRODUCTS AND METHODS OF PRODUCTION THEREOF FÉDÉRATION DES PRODUCTEURS ACÉRICOLES DU QUÉBEC (CA) 2012-02-23 WO disclosed
WO-2012021981-A1 NOVEL PHYTOCHEMICALS FROM EXTRACTS OF MAPLE SYRUPS AND MAPLE TREES AND USES THEREOF FÉDÉRATION DES PRODUCTEURS ACÉRICOLES DU QUÉBEC (CA) 2012-02-23 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 (3 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-11826396-B2 Nutriprotective diet NEFM, NNMT, SORD PKM 47/4885CA12 3756/4885CA1 3926/4885
US-20130267474-A1 NOVEL PHYTOCHEMICALS FROM EXTRACTS OF MAPLE SYRUPS AND MAPLE TREES AND USES THEREOF BPHL, OAT, PSAT1 PKM 761/4885CA12 3779/4885CA1 4511/4885
US-20130310332-A1 MAPLE TREE-DERIVED PRODUCTS AND USES THEREOF FASN, NNT, MAPK7 PKM 1041/4885CA12 4623/4885CA1 4834/4885

“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.