SCHEMBL12255233

SCHEMBL12255233

COC(=O)Cc1c(C)[nH]c2cc(F)c(OC)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.48
MTNR1B P49286 5/20 0.48
AKR1C2 P52895 1/20 0.46
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
HTR2B P41595 1/20 0.44
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
EGFR P00533 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DCTPP1 Q9H773 1/20 0.38

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
SCHEMBL13229806 0.90 LMNA (0.47) MTNR1AMTNR1BAKR1C2HTR2BKDM4E
SCHEMBL2001859 0.88 AKR1C2 (0.60) MTNR1AMTNR1BAKR1C2HTR2BKDM4E
SCHEMBL13228543 0.86 AKR1C2 (0.41) MTNR1AMTNR1BAKR1C2PDE3BPDE3A
SCHEMBL12255402 0.85 AKR1C2 (0.44) MTNR1AMTNR1BAKR1C2KDM4EGAA
SCHEMBL12571223 0.84 MTNR1A (0.42) MTNR1AMTNR1BAKR1C2PDE3BPDE3A
SCHEMBL12255237 0.84 MTNR1A (0.46) MTNR1AMTNR1BAKR1C2PDE3BPDE3A
SCHEMBL12255320 0.82 HTR1A (0.41) MTNR1AMTNR1BPDE3BPDE3AHTR2B
SCHEMBL13299828 0.81 GAA (0.41) MTNR1AMTNR1BAKR1C2KDM4EGAA
SCHEMBL2427937 0.81 MTNR1A (0.46) MTNR1AMTNR1BAKR1C2PDE3BPDE3A
SCHEMBL12571226 0.80 PDE3B (0.48) MTNR1AMTNR1BPDE3BPDE3AHTR2B

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 5 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
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 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 (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-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 MTNR1A 62/4885MTNR1B 163/4885AKR1C2 87/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 MTNR1A 186/4885MTNR1B 104/4885AKR1C2 1010/4885

“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.