SCHEMBL10756563

SCHEMBL10756563

COC(=O)C(N)C(O)c1ccc(O)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 9/20 0.66
LMNA P02545 4/20 0.66
BLM P54132 3/20 0.66
ADRA1A P35348 2/20 0.66
NR1I2 O75469 1/20 0.66
PTGS1 P23219 1/20 0.66
KDM4E B2RXH2 9/20 0.57
MAPT P10636 6/20 0.57
RECQL P46063 5/20 0.57
HIF1A Q16665 4/20 0.57
HSD17B10 Q99714 4/20 0.57
TSHR P16473 3/20 0.57
KMT2A Q03164 3/20 0.57
NFKB1 P19838 2/20 0.57
THPO P40225 2/20 0.57
APEX1 P27695 2/20 0.57
MTOR P42345 2/20 0.57
ALOX15 P16050 1/20 0.57
POLB P06746 1/20 0.57
MAPK1 P28482 3/20 0.51

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
SCHEMBL19565601 1.00 TDP1 (0.66) TDP1LMNABLMADRA1ANR1I2
SCHEMBL19565603 1.00 TDP1 (0.66) TDP1LMNABLMADRA1ANR1I2
SCHEMBL10754856 1.00 TDP1 (0.66) TDP1LMNABLMADRA1ANR1I2
SCHEMBL19565602 1.00 TDP1 (0.66) TDP1LMNABLMADRA1ANR1I2
SCHEMBL19565604 1.00 TDP1 (0.66) TDP1LMNABLMADRA1ANR1I2
Hydrochloric Acid SCHEMBL10362778 0.98 TDP1 (0.64) TDP1LMNABLMADRA1ANR1I2
Oxalic Acid SCHEMBL10757594 0.95 TDP1 (0.65) TDP1LMNABLMADRA1ANR1I2
SCHEMBL10362671 0.86 TDP1 (0.64) TDP1LMNABLMADRA1ANR1I2
SCHEMBL19565609 0.84 TDP1 (0.62) TDP1LMNABLMADRA1ANR1I2
SCHEMBL19565608 0.84 TDP1 (0.62) TDP1LMNABLMADRA1ANR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170319694-A1 DIHYDROXYPHENYL NEUROTRANSMITTER COMPOUNDS, COMPOSITIONS AND METHODS AUSPEX PHARMACEUTICALS INC (US) 2017-11-09 US disclosed
EP-0218440-A2 N-Methylphenylserine alkyl ester derivatives and uses thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1987-04-15 EP 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-20170319694-A1 DIHYDROXYPHENYL NEUROTRANSMITTER COMPOUNDS, COMPOSITIONS AND METHODS SLC18A2, COMT, SLC6A2 TDP1 1161/4885LMNA 3543/4885BLM 3824/4885

“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.