SCHEMBL12255348

SCHEMBL12255348

COc1cc2c(CC(=O)O)c(C)[nH]c2cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.56
KDM4E B2RXH2 6/20 0.51
GAA P10253 5/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
POLB P06746 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTPN5 P54829 1/20 0.37
NR1I2 O75469 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL12255237 0.89 MTNR1A (0.46) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL28733295 0.89 AKR1C2 (0.57) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL11338063 0.85 AKR1C2 (0.66) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL2001859 0.83 AKR1C2 (0.60) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL2466040 0.83 KDM4E (0.55) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL12255323 0.82 AKR1C2 (0.38) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL4052655 0.81 MTNR1A (0.65) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL13299780 0.79 KDM4E (0.52) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL1494524 0.76 ALDH1A1 (0.46) KDM4EGAAMAPTALDH1A1MEN1
SCHEMBL8805636 0.75 LMNA (0.44) KDM4EGAAMAPTALDH1A1MEN1

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
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-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
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 AKR1C2 87/4885KDM4E 1072/4885GAA 3206/4885

“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.