SCHEMBL4742902

SCHEMBL4742902

O=Cc1c(O)cc(O)c(C(=O)CCc2ccccc2)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 7/20 0.61
SLC5A2 P31639 7/20 0.61
MAPT P10636 3/20 0.61
GAA P10253 2/20 0.61
CBS P35520 1/20 0.49
CYP3A4 P08684 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
CYP19A1 P11511 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
SLC16A3 O15427 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TTR P02766 1/20 0.48
ESR1 P03372 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL457057 0.79 SLC5A1 (0.65) SLC5A1SLC5A2MAPTGAACBS
SCHEMBL31237673 0.79 SLC5A1 (0.49) SLC5A1SLC5A2MAPTGAACBS
SCHEMBL455029 0.77 SLC5A1 (1.00) SLC5A1SLC5A2MAPTGAACBS
SCHEMBL31040543 0.76 CBS (0.75) SLC5A1SLC5A2MAPTGAACBS
SCHEMBL11152281 0.75 CYP3A4 (0.51) MAPTGAACYP3A4MEN1ALDH1A1
SCHEMBL31230884 0.75 CTSL (0.69) SLC5A1SLC5A2MAPTGAACBS
SCHEMBL31040538 0.75 PLA2G2A (0.64) MAPTCYP3A4MEN1ALDH1A1LMNA
SCHEMBL31040537 0.74 FFAR1 (0.50) MAPTCYP3A4MEN1KMT2AALOX5
SCHEMBL24842064 0.73 ACHE (0.75) SLC5A1SLC5A2MAPTGAACBS
SCHEMBL30460437 0.72 CYP3A4 (0.70) MAPTCYP3A4KDM4EMEN1ALDH1A1

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-2858641-B1 IMPROVED METHODS FOR BOTANICAL AND/OR ALGAE EXTRACTION BASF CORP (US) 2017-09-06 EP claimed
EP-2888012-B1 ORAL CARE UNIV PRETORIA (ZA) 2020-06-17 EP disclosed
EP-2888012-A2 ORAL CARE University of Pretoria (ZA) 2015-07-01 EP disclosed
US-20150174059-A1 ORAL CARE UNIVERSITY OF PRETORIA (ZA) 2015-06-25 US disclosed
WO-2014033625-A2 ORAL CARE UNIVERSITY OF PRETORIA (ZA) 2014-03-06 WO disclosed
WO-2008100977-A2 CARBAMATES THERAPEUTIC RELEASE AGENTS AS AMIDASE INHIBITORS N.V. ORGANON (NL) 2008-08-21 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 (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-20150174059-A1 ORAL CARE NOP2, POLR1C, DPM1 SLC5A1 4623/4885SLC5A2 4424/4885MAPT 2090/4885

“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.