SCHEMBL13644181

SCHEMBL13644181

CC(C)(Cc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.70
HSD17B10 Q99714 6/20 0.70
HPGD P15428 5/20 0.70
TDP1 Q9NUW8 4/20 0.70
MAPT P10636 4/20 0.70
POLB P06746 4/20 0.70
ALOX15 P16050 4/20 0.70
ALDH1A1 P00352 4/20 0.70
BLM P54132 4/20 0.70
CYP1A2 P05177 3/20 0.70
CYP3A4 P08684 3/20 0.70
PMP22 Q01453 3/20 0.70
USP2 O75604 3/20 0.70
PTGS2 P35354 3/20 0.70
RECQL P46063 3/20 0.70
GAA P10253 2/20 0.70
APEX1 P27695 2/20 0.70
EGFR P00533 2/20 0.70
FYN P06241 2/20 0.70
MEN1 O00255 2/20 0.70

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
SCHEMBL25596704 0.85 KDM4E (0.60) KDM4EHSD17B10HPGDTDP1MAPT
Methyldopa SCHEMBL30176814 0.82 KDM4E (1.00) KDM4EHSD17B10HPGDTDP1MAPT
Methyldopa SCHEMBL1172822 0.82 KDM4E (1.00) KDM4EHSD17B10HPGDTDP1MAPT
Methyldopa SCHEMBL29352376 0.82 KDM4E (1.00) KDM4EHSD17B10HPGDTDP1MAPT
Methyldopa SCHEMBL34003 0.82 KDM4E (1.00) KDM4EHSD17B10HPGDTDP1MAPT
SCHEMBL24666864 0.82 HSD17B10 (0.66) KDM4EHSD17B10HPGDTDP1MAPT
Methyldopa (Racemic) SCHEMBL196981 0.82 KDM4E (1.00) KDM4EHSD17B10HPGDTDP1MAPT
Methyldopa SCHEMBL1321546 0.82 KDM4E (1.00) KDM4EHSD17B10HPGDTDP1MAPT
SCHEMBL1716459 0.82 TSHR (0.62) TDP1ALDH1A1CYP1A2CYP3A4GAA
Methyldopa (Racemic) SCHEMBL259452 0.81 KDM4E (0.97) KDM4EHSD17B10HPGDTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239131-A1 NEW COMPOUNDS WITH ACTIVITY THAT PROTECTS AGAINST THE ACTION OF TOXINS AND VIRUSES IN INTRACELLULAR ACTION MODE Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2017-11-01 EP disclosed
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-17 US disclosed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 US disclosed
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 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 (3 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-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action HAVCR2, MAVS, ANTXR2 KDM4E 1528/4885HSD17B10 4825/4885HPGD 4737/4885
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION HAVCR2, MAVS, ANTXR2 KDM4E 1212/4885HSD17B10 4843/4885HPGD 4807/4885
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action HAVCR2, MAVS, ANTXR2 KDM4E 1212/4885HSD17B10 4843/4885HPGD 4807/4885

“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.