SCHEMBL4827698

SCHEMBL4827698

O=C(O)c1cccc(OC2CCCO2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
AKR1C3 P42330 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 1/20 0.45
EPHX2 P34913 3/20 0.44
NR1H4 Q96RI1 1/20 0.43
KMO O15229 1/20 0.43
DHFR P00374 1/20 0.43
GRIK1 P39086 1/20 0.43
GRIA2 P42262 1/20 0.43
PKM P14618 1/20 0.43
NR4A2 P43354 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL5727243 0.88 PKM (0.46) KMT2AMEN1RAB9ADHFRPKM
SCHEMBL3058714 0.86 ALDH1A1 (0.46) KMT2AMEN1RAB9AHPGDDHFR
SCHEMBL9637065 0.84 DHFR (0.45) KMT2AMEN1RAB9AHPGDDHFR
SCHEMBL25621200 0.84 HPGD (0.47) RAB9AHPGDEPHX2DHFRPKM
SCHEMBL11769348 0.84 HDAC6 (0.45) KMT2AMEN1HPGDEPHX2DHFR
SCHEMBL220900 0.84 KMT2A (0.51) KMT2AMEN1HPGDKMODHFR
SCHEMBL3184997 0.81 DHFR (0.53) KMT2AMEN1RAB9ADHFRNPC1
SCHEMBL3237592 0.81 ALDH1A1 (0.47) KMT2AMEN1RAB9AHPGDDHFR
SCHEMBL17700609 0.81 HPGD (0.45) KMT2AMEN1RAB9AHPGDDHFR
SCHEMBL225085 0.81 KMT2A (0.65) KMT2AMEN1RAB9AEPHX2NPC1

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
US-7442704-B2 Amide derivatives ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-7332483-B2 3-(5-benzamido-2-chlorophenyl)-7-methoxy-3,4-dihydroquinazolin-4-one;cytokines (tumor necrosis factor and interleukins) inhibitor; antiinflammatory agent, rheumatoid arthritis, osteoarthritis, psoriasis, chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20060281734-A1 Amide derivatives BROWN DEARG S 2006-12-14 US disclosed
US-7008945-B1 Amide derivatives ASTRAZENECA AB (SE) 2006-03-07 US disclosed
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 US disclosed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 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-20050245551-A1 Amide derivatives IL6, IL6ST, IL1B KMT2A 2740/4885MEN1 2386/4885AKR1C3 163/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B KMT2A 2740/4885MEN1 2386/4885AKR1C3 163/4885

“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.