SCHEMBL4458222

SCHEMBL4458222

CC1(C)CC(=O)c2c(ccc(O)c2[N+](=O)[O-])O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 7/20 0.50
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCL1 Q07820 1/20 0.37
GLA P06280 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL13672318 0.84 NPC1 (0.44) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL4467507 0.74 NPC1 (0.39) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL20480462 0.73 ALDH1A1 (0.62) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL30506306 0.73 ALDH1A1 (0.62) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL29982814 0.72 MAOA (0.40) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL9818795 0.70 MAPT (0.61) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL21623581 0.68 KDM4E (0.52) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL1146705 0.67 ALDH1A1 (1.00) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL20116002 0.66 ALDH1A1 (0.74) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL4686035 0.65 GPR35 (0.41) KMT2AALDH1A1MAPTSMN1; SMN2GAA

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-7598403-B2 Synthesis of chromanones THE UNIVERSITY OF SOUTH CAROLINA RESEARCH FOUNDATION (US) 2009-10-06 US disclosed
US-7598403-B2 Synthesis of chromanones THE UNIVERSITY OF SOUTH CAROLINA RESEARCH FOUNDATION (US) 2009-10-06 US disclosed
US-7598403-B2 Synthesis of chromanones THE UNIVERSITY OF SOUTH CAROLINA RESEARCH FOUNDATION (US) 2009-10-06 US disclosed
US-20070203214-A1 Synthesis Of Chromanones UNIVERSITY OF SOUTH CAROLINA (US) 2007-08-30 US disclosed
US-20070203214-A1 Synthesis Of Chromanones UNIVERSITY OF SOUTH CAROLINA (US) 2007-08-30 US disclosed
US-20070203214-A1 Synthesis Of Chromanones UNIVERSITY OF SOUTH CAROLINA (US) 2007-08-30 US disclosed
WO-2004103985-A2 DERIVATIVES OF FUSAROCHROMANONE AS THERAPEUTIC AGENTS UNIVERSITY OF SOUTH CAROLINA (US) 2004-12-02 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-20070203214-A1 Synthesis Of Chromanones MAP3K6, MAP3K8, MAP3K1 RAB9A 3243/4885NPC1 2619/4885KMT2A 2984/4885

“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.