SCHEMBL1842904

SCHEMBL1842904

COc1ccc(C2COc3cc(O)cc(O)c3C2=O)cc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.71
XDH P47989 3/20 0.58
CYP1A1 P04798 3/20 0.58
CYP1A2 P05177 3/20 0.58
CYP1B1 Q16678 3/20 0.58
TP53 P04637 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP19A1 P11511 2/20 0.58
MAPT P10636 2/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PKM P14618 1/20 0.58
NPC1 O15118 1/20 0.58
CA12 O43570 1/20 0.58
KDM1A O60341 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
CA4 P22748 1/20 0.58

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
Dihydrobiochanin A SCHEMBL30217535 0.85 ALOX12 (0.67) PTPN1XDHCYP1A1CYP1A2CYP1B1
SCHEMBL30217542 0.85 PTPN1 (0.57) PTPN1CYP1A1CYP1A2CYP1B1TP53
SCHEMBL17963719 0.85 PTPN1 (0.57) PTPN1CYP1A1CYP1A2CYP1B1TP53
SCHEMBL29559295 0.84 ALOX12 (0.56) PTPN1XDHCYP1A1CYP1A2CYP1B1
SCHEMBL678189 0.82 ALOX12 (0.65) PTPN1CYP1A1CYP1A2CYP1B1TP53
SCHEMBL12825176 0.82 ALOX12 (0.65) PTPN1CYP1A1CYP1A2CYP1B1TP53
SCHEMBL29412620 0.82 ALOX12 (0.65) PTPN1CYP1A1CYP1A2CYP1B1TP53
SCHEMBL13640753 0.81 PTPN1 (0.56) PTPN1CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL572085 0.81 PTPN1 (0.67) PTPN1XDHCYP1A1CYP1A2CYP1B1
SCHEMBL31238344 0.81 PTPN1 (0.56) PTPN1XDHCYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2842428-B1 Oral composition SYMRISE AG (DE) 2018-08-08 EP disclosed
EP-1977655-B1 Aroma compositions of alkamides with hesperetin and/or 4-hydroxydihydrochalkones and their salts for reinforcing sweet sensory impressions SYMRISE AG (DE) 2011-05-18 EP disclosed
EP-1977655-A1 Aroma compositions of alkamides with hesperetin and/or 4-hydroxydihydrochalkones and their salts for reinforcing sweet sensory impressions Symrise GmbH & Co. KG (DE) 2008-10-08 EP disclosed
EP-1977655-A1 Aroma compositions of alkamides with hesperetin and/or 4-hydroxydihydrochalkones and their salts for reinforcing sweet sensory impressions Symrise GmbH & Co. KG (DE) 2008-10-08 EP disclosed
US-20080242740-A1 AROMA COMPOSITIONS OF ALKAMIDES WITH HESPERETIN AND/OR 4-HYDROXYDIHYDROCHALCONES AND SALTS THEREOF FOR ENHANCING SWEET SENSORY IMPRESSIONS SYMRISE GMBH & CO. KG (DE) 2008-10-02 US disclosed
US-20080242740-A1 AROMA COMPOSITIONS OF ALKAMIDES WITH HESPERETIN AND/OR 4-HYDROXYDIHYDROCHALCONES AND SALTS THEREOF FOR ENHANCING SWEET SENSORY IMPRESSIONS SYMRISE GMBH & CO. KG (DE) 2008-10-02 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-20080242740-A1 AROMA COMPOSITIONS OF ALKAMIDES WITH HESPERETIN AND/OR 4-HYDROXYDIHYDROCHALCONES AND SALTS THEREOF FOR ENHANCING SWEET SENSORY IMPRESSIONS TAS2R5, TAS2R20, TAS2R40 PTPN1 3946/4885XDH 3910/4885CYP1A1 1248/4885

“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.