SCHEMBL8569388

SCHEMBL8569388

COC(=O)c1cc2c(cc1O)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 5/20 0.54
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
PDK2 Q15119 1/20 0.49
PDK4 Q16654 1/20 0.49
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
PKM P14618 1/20 0.47
GAA P10253 2/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
TARBP2 Q15633 1/20 0.45

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
SCHEMBL7377635 0.89 KDM4E (0.61) KDM4EALDH1A1NPC1SMN1; SMN2GAA
SCHEMBL14108191 0.82 ALDH1A1 (0.54) KDM4EALDH1A1NPC1SMN1; SMN2GAA
SCHEMBL5666716 0.81 KDM4E (0.81) KDM4EALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL8569614 0.81 ALDH1A1 (0.57) KDM4EALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL17782662 0.81 KDM4E (0.53) KDM4EALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL31324803 0.81 KDM4E (0.81) KDM4EALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL773047 0.79 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL10617873 0.78 HPGD (0.57) KDM4EALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL14084357 0.78 KDM4E (0.50) KDM4EALDH1A1NPC1SMN1; SMN2GAA
SCHEMBL1109633 0.78 CA12 (0.65) KDM4EALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-03-05 US disclosed
US-20200055871-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-02-20 US disclosed
WO-2020036812-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-20 WO disclosed
WO-2020036574-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I' PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-20 WO disclosed
WO-2020033782-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-1\" PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-13 WO disclosed
US-5739336-A SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1998-04-14 US disclosed
WO-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 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 (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-20200055871-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF RARB, RARG, RARA KDM4E 4380/4885ALDH1A1 72/4885CA12 2960/4885
US-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF RARB, RARG, RARA KDM4E 4380/4885ALDH1A1 72/4885CA12 2960/4885

“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.