SCHEMBL12692553

SCHEMBL12692553

OC/C=C/c1ccc(O)c(CO)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ RECQL P46063 1/20 0.69
▸ MMP9 P14780 4/20 0.49
▸ MMP2 P08253 4/20 0.49
▸ MMP8 P22894 3/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ LCK P06239 3/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ KLF10 Q13118 1/20 0.43
▸ PKM P14618 2/20 0.42
▸ PTGS1 P23219 2/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ AKR1B10 O60218 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ NQO2 P16083 1/20 0.38
▸ ALOX12 P18054 2/20 0.37
▸ RGS12 O14924 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL18014934 1.00 ALDH1A1 (0.69) ALDH1A1CYP3A4RECQLMMP9MMP2
SCHEMBL14351166 0.82 MMP2 (0.50) ALDH1A1CYP3A4RECQLMMP9MMP2
SCHEMBL197852 0.82 ALDH1A1 (1.00) ALDH1A1CYP3A4RECQLMMP9MMP2
SCHEMBL30812742 0.82 ALDH1A1 (1.00) ALDH1A1CYP3A4RECQLMMP9MMP2
SCHEMBL197853 0.82 ALDH1A1 (1.00) ALDH1A1CYP3A4RECQLMMP9MMP2
SCHEMBL30884134 0.82 ALDH1A1 (1.00) ALDH1A1CYP3A4RECQLMMP9MMP2
SCHEMBL16867064 0.81 CNR2 (0.60) ALDH1A1CYP3A4RECQLMMP9MMP2
SCHEMBL8847721 0.80 MMP2 (0.46) ALDH1A1CYP3A4RECQLMMP9MMP2
SCHEMBL8847717 0.80 MMP2 (0.46) ALDH1A1CYP3A4RECQLMMP9MMP2
SCHEMBL17701610 0.79 PTGS2 (0.64) ALDH1A1CYP3A4MMP9MMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826396-B2 Nutriprotective diet FEDERATION DES PRODUCTEURS ACERICOLES DU QUEBEC (CA) 2023-11-28 — — US disclosed
US-20230357640-A1 Compositions Comprising Water Dispersible Polymer and Unsaturated Dicarboxylic Acid Derivative Suitable for Enhancing Char 3M INNOVATIVE PROPERTIES COMPANY 2023-11-09 — — US disclosed
US-9922741-B2 Method for the pre-calcining treatment of an aqueous nitric solution comprising at least one radionuclide and optionally ruthenium COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-03-20 — — US disclosed
US-9365525-B2 System and method for extraction of chemicals from lignocellulosic materials AMERICAN SCIENCE AND TECHNOLOGY CORPORATION (US) 2016-06-14 — — US disclosed
US-9045764-B2 Compositions and methods relating to transgenic plants and cellulosic ethanol production THE PENN STATE RESEARCH FOUNDATION (US) 2015-06-02 — — US disclosed
US-20140227161-A1 SYSTEM AND METHOD FOR EXTRACTION OF CHEMICALS FROM LIGNOCELLULOSIC MATERIALS AMERICAN SCIENCE AND TECHNOLOGY CORPORATION (US) 2014-08-14 — — US disclosed
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 disclosed
US-20130203688-A1 SUGAR PLANT DERIVED BY-PRODUCTS AND METHODS OF PRODUCTION THEREOF FÉDÉRATION DES PRODUCTEURS ACÉRI-COLES DU QUÉBEC (CA) 2013-08-08 — — US disclosed
US-20130023713-A1 METHOD FOR THE PRE-CALCINING TREATMENT OF AN AQUEOUS NITRIC SOLUTION COMPRISING AT LEAST ONE RADIONUCLIDE AND OPTIONALLY RUTHENIUM Commissariat a renergie atomique et aux energies alternatives (FR) 2013-01-24 — — US disclosed
US-20120246766-A1 COMPOSITIONS AND METHODS RELATING TO TRANSGENIC PLANTS AND CELLULOSIC ETHANOL PRODUCTION THE PENN STATE RESEARCH FOUNDATION (US) 2012-09-27 — — 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 (4 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-20140227161-A1 SYSTEM AND METHOD FOR EXTRACTION OF CHEMICALS FROM LIGNOCELLULOSIC MATERIALS DCXR, SORD, LCT ALDH1A1 738/4885CYP3A4 68/4885RECQL 1915/4885
US-11826396-B2 Nutriprotective diet NEFM, NNMT, SORD ALDH1A1 1906/4885CYP3A4 4199/4885RECQL 3207/4885
US-20130267474-A1 NOVEL PHYTOCHEMICALS FROM EXTRACTS OF MAPLE SYRUPS AND MAPLE TREES AND USES THEREOF BPHL, OAT, PSAT1 ALDH1A1 1582/4885CYP3A4 455/4885RECQL 2033/4885
US-20130203688-A1 SUGAR PLANT DERIVED BY-PRODUCTS AND METHODS OF PRODUCTION THEREOF SORD, TREH, CUTA ALDH1A1 1581/4885CYP3A4 3528/4885RECQL 863/4885

“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.

Send feedback