SCHEMBL10355461

SCHEMBL10355461

COc1cc(C)cc(C(=O)O)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.59
PKM P14618 2/20 0.50
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 7/20 0.49
HPGD P15428 5/20 0.49
HSD17B10 Q99714 4/20 0.49
MAPT P10636 2/20 0.49
TPMT P51580 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
LMNA P02545 1/20 0.46
CNR2 P34972 1/20 0.46
NPC1 O15118 1/20 0.46
ABL1 P00519 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL6736179 0.88 HSD17B10 (0.55) ACHEPKMKDM4EALDH1A1HPGD
SCHEMBL14373029 0.84 TSHR (0.49) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10355686 0.83 ACHE (0.57) ACHEPKMKDM4EALDH1A1HPGD
SCHEMBL7820121 0.82 HSD17B10 (0.50) ACHEPKMKDM4EALDH1A1HPGD
SCHEMBL10920134 0.82 KDM4E (0.55) ACHEPKMKDM4EALDH1A1HPGD
SCHEMBL14363157 0.81 PKM (0.55) ACHEPKMKDM4EALDH1A1HPGD
SCHEMBL8554349 0.81 MAPT (0.63) PKMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10355688 0.81 ACHE (0.59) ACHEPKMKDM4EALDH1A1HPGD
SCHEMBL1613893 0.81 TPMT (0.68) PKMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9191019 0.81 KDM4E (0.53) ACHEPKMKDM4EALDH1A1HPGD

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-8354439-B2 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-15 US disclosed
US-20070238758-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. 2007-10-11 US disclosed
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion CHIHIRO MASATOSHI 2007-05-10 US disclosed
EP-0207913-B1 CATECHOL CARBOXAMIDES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND A PHARMACEUTICAL PREPARATION Astra Läkemedel Aktiebolag (SE) 1990-10-31 EP disclosed
EP-0207913-A1 Catechol carboxamides, process for their preparation, intermediates and a pharmaceutical preparation Astra Läkemedel Aktiebolag (SE) 1987-01-07 EP disclosed
WO-1986007591-A1 CATECHOLCARBOXAMIDES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND A PHARMACEUTICAL PREPARATION Astra Läkemedel Aktiebolag (SE) 1986-12-31 WO disclosed
US-4530845-A Substituted with a phenyl group in position 2 FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-07-23 US disclosed
EP-0047323-B1 1,4-NAPHTHOQUINONE DERIVATIVES AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-10 EP disclosed
US-4414226-A 1,4-Naphtoquinone derivatives and their use in treating coccidiosis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-11-08 US disclosed
EP-0047323-A1 1,4-NAPHTHOQUINONE DERIVATIVES AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-03-17 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 (2 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-20070238758-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, IL1RN, SELL ACHE 4454/4885PKM 3527/4885KDM4E 3406/4885
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, IL1RN, SELL ACHE 4462/4885PKM 3495/4885KDM4E 3397/4885

“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.