SCHEMBL2231601

SCHEMBL2231601

CCCCCCOc1ccc2oc(=O)c(C(=O)NCC(=O)O)c(O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.49
MTNR1B P49286 2/20 0.49
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
ACSL1 P33121 2/20 0.44
ACSL6 Q9UKU0 2/20 0.44
MAP1LC3B Q9GZQ8 1/20 0.44
MAP1LC3A Q9H492 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 3/20 0.43
PLA2G4B P0C869 1/20 0.43
LMNA P02545 2/20 0.42
SERPINE1 P05121 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2761766 0.84 MAOA (0.46) MTNR1AMTNR1BMAOAMAOBACSL1
SCHEMBL2761765 0.84 MAOA (0.46) MTNR1AMTNR1BMAOAMAOBACSL1
SCHEMBL2761639 0.84 MAOB (0.60) MTNR1AMTNR1BMAOAMAOBACSL1
SCHEMBL2761676 0.82 HIF1A (0.46) ALDH1A1KDM4EHPGDHIF1A
SCHEMBL2761688 0.82 L3MBTL1 (0.52) MAOAMAOBMAP1LC3BMAP1LC3AHIF1A
SCHEMBL8494981 0.80 MAOA (0.53) MTNR1AMTNR1BMAOAMAOBACSL1
SCHEMBL6275937 0.79 KDM4E (0.52) MAOAMAOBACSL1ACSL6ALDH1A1
SCHEMBL6276647 0.79 KDM4E (0.52) MAOAMAOBACSL1ACSL6ALDH1A1
SCHEMBL6272551 0.79 KDM4E (0.52) MAOAMAOBACSL1ACSL6ALDH1A1
SCHEMBL6270329 0.79 KDM4E (0.52) MAOAMAOBACSL1ACSL6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324405-B2 Chromene derivatives and use thereof as HIF hydroxylase activity inhibitors FIBROGEN, INC. (US) 2012-12-04 US claimed
US-20100331400-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS FIBROGEN, INC. 2010-12-30 US claimed
WO-2009100250-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS FIBROGEN, INC. (US) 2009-08-13 WO claimed
US-8324405-B2 Chromene derivatives and use thereof as HIF hydroxylase activity inhibitors FIBROGEN, INC. (US) 2012-12-04 US disclosed
US-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2011-10-27 US disclosed
EP-2341904-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS Fibrogen, Inc. (US) 2011-07-13 EP disclosed
US-20100331400-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS FIBROGEN, INC. 2010-12-30 US disclosed
WO-2010024908-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2010-03-04 WO disclosed
WO-2009100250-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS FIBROGEN, INC. (US) 2009-08-13 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-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS PMP22, MAG, NEFM MTNR1A 186/4885MTNR1B 106/4885MAOA 1659/4885
US-20100331400-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS HIF1AN, HIF1A, EGLN2 MTNR1A 1640/4885MTNR1B 2358/4885MAOA 321/4885

“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.