SCHEMBL4743773

SCHEMBL4743773

O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cccc(CO)c21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.60
MAPT P10636 3/20 0.60
HPGD P15428 2/20 0.60
MEN1 O00255 2/20 0.60
HTT P42858 2/20 0.60
KMT2A Q03164 2/20 0.60
CYP2C19 P33261 1/20 0.60
RECQL P46063 1/20 0.60
BLM P54132 1/20 0.60
SMAD3 P84022 1/20 0.60
PRMT1 Q99873 1/20 0.60
ACE2 Q9BYF1 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALOX12 P18054 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57
BRCA1 P38398 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MMP2 P08253 1/20 0.47

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
SCHEMBL2314510 0.90 FTO (0.60) FTOMAPTHPGDMEN1HTT
SCHEMBL84112 0.89 FTO (0.59) FTOMAPTHPGDMEN1HTT
SCHEMBL2184643 0.89 FTO (0.59) FTOMAPTHPGDMEN1HTT
SCHEMBL336896 0.89 FTO (0.59) FTOMAPTHPGDMEN1HTT
Hydrochloric Acid SCHEMBL7640824 0.88 FTO (0.57) FTOMAPTHPGDMEN1HTT
SCHEMBL16116120 0.87 FTO (0.54) FTOMAPTHPGDMEN1HTT
SCHEMBL4825622 0.86 FTO (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL22110384 0.86 FTO (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL1115891 0.86 HPGD (0.57) FTOMAPTHPGDMEN1HTT
SCHEMBL7647553 0.86 FTO (0.56) FTOMAPTHPGDMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084627-B2 obtained the compound by reducing the carboxy-ester to an alcohol; non-interact with positively charged biomolecules; cell-permeable, water soluble, easily synthesized from commercially available materials; conjugated yellow or green pigments with biomolecule protein or nucleic acids UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-12-27 US disclosed
US-8084627-B2 obtained the compound by reducing the carboxy-ester to an alcohol; non-interact with positively charged biomolecules; cell-permeable, water soluble, easily synthesized from commercially available materials; conjugated yellow or green pigments with biomolecule protein or nucleic acids UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-12-27 US disclosed
US-20080275257-A1 Hydroxymethyl fluorescein derivatives for use as biological markers and dyes PITTSBURGH, UNIVERSITY OF 2008-11-06 US disclosed
US-20080275257-A1 Hydroxymethyl fluorescein derivatives for use as biological markers and dyes PITTSBURGH, UNIVERSITY OF 2008-11-06 US disclosed
WO-2008094502-A1 HYDROXYMETHYL FLUORESCEIN DERIVATIVES FOR USE AS BIOLOGICAL MARKERS AND DYES UNIVERSITY OF PITTSBURGH (US) 2008-08-07 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-20080275257-A1 Hydroxymethyl fluorescein derivatives for use as biological markers and dyes DHFR, CD44, MGMT FTO 443/4885MAPT 3728/4885HPGD 159/4885

“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.