SCHEMBL5425943

SCHEMBL5425943

Cc1c(-c2ccccc2)c(=O)oc2ccc(O)cc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 2/20 0.79
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.55
CALM1 P0DP23 1/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
FTO Q9C0B1 1/20 0.55
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 4/20 0.55
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP1B1 Q16678 1/20 0.52
ESR1 P03372 3/20 0.51
ESR2 Q92731 3/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 2/20 0.51

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
SCHEMBL1608015 0.88 ERAP1 (1.00) ERAP1NPC1RAB9ACALM1MAPT
SCHEMBL5161656 0.86 ERAP1 (0.59) ERAP1NPC1RAB9AMAPTKDM4E
SCHEMBL14307644 0.85 ERAP1 (0.61) ERAP1NPC1RAB9AMAPTALDH1A1
SCHEMBL11477219 0.85 ERAP1 (0.61) ERAP1NPC1RAB9ACALM1MAPT
SCHEMBL8118207 0.84 ERAP1 (0.72) ERAP1NPC1RAB9AMAPTPKM
SCHEMBL4267946 0.83 NPC1 (0.81) ERAP1NPC1RAB9AMAPTALDH1A1
SCHEMBL3091877 0.82 ERAP1 (0.58) ERAP1NPC1RAB9AMAPTALDH1A1
SCHEMBL3079436 0.82 ERAP1 (0.58) ERAP1NPC1RAB9AALDH1A1KDM4E
SCHEMBL4449250 0.81 ERAP1 (0.68) ERAP1NPC1RAB9AMAPTPKM
SCHEMBL10795110 0.81 HSD17B3 (0.73) ERAP1KDM4EESR1ESR2HSD17B3

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
JP-2003504327-A 2003-02-04 JP claimed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP claimed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO claimed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
US-6555523-B1 Such as 3',4'-diacetoxy-5,6,7-trimethoxyflavone or naringin in the treatment HIV, picornavirus, and/or respiratory virus CASCADE ESTATES LTD. (MU) 2003-04-29 US disclosed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP disclosed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 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 (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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 ERAP1 2734/4885NPC1 362/4885RAB9A 3126/4885

“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.