SCHEMBL2403243

SCHEMBL2403243

C=CCOc1ccc2[nH]cc(CC(=O)O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.66
TSHR P16473 2/20 0.57
CYP2C9 P11712 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
GLA P06280 1/20 0.57
HPGD P15428 1/20 0.57
NFKB1 P19838 1/20 0.57
PMP22 Q01453 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MTNR1A P48039 6/20 0.55
MTNR1B P49286 6/20 0.55
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
LTA4H P09960 2/20 0.46
PLA2G2A P14555 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 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
SCHEMBL15747755 0.83 KDM4E (0.75) KDM4ETSHRCYP2C9ALDH1A1LMNA
SCHEMBL31370220 0.82 KMT2A (0.69) KDM4ETSHRCYP2C9ALDH1A1LMNA
SCHEMBL15747702 0.81 KDM4E (0.71) KDM4ETSHRCYP2C9ALDH1A1LMNA
SCHEMBL12721122 0.81 KDM4E (0.71) KDM4ETSHRCYP2C9ALDH1A1LMNA
SCHEMBL4501048 0.80 KDM4E (0.74) KDM4ETSHRCYP2C9ALDH1A1LMNA
SCHEMBL674415 0.80 KDM4E (1.00) KDM4ETSHRCYP2C9ALDH1A1LMNA
SCHEMBL4490807 0.80 PPARG (0.71) KDM4ETSHRCYP2C9ALDH1A1LMNA
SCHEMBL31543712 0.79 MTNR1A (0.72) KDM4ETSHRALDH1A1LMNAHPGD
SCHEMBL2429146 0.79 KDM4E (0.68) KDM4ETSHRCYP2C9ALDH1A1LMNA
SCHEMBL23701772 0.78 HTR1B (0.67) KDM4ETSHRCYP2C9ALDH1A1LMNA

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-8481587-B2 Substituted 2-(5-hydroxy-2-methyl-1H-indole-3-yl)acetic acids and ethers thereof and the use of same to treat viral diseases IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2013-07-09 US disclosed
US-20110230524-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES ALLA CHEM, LLC. 2011-09-22 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 (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-20110230524-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES IDO1, TPH1, FOXM1 KDM4E 1072/4885TSHR 1226/4885CYP2C9 477/4885

“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.