SCHEMBL2953317

SCHEMBL2953317

CONC(C)Cc1ccc(O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.59
ALOX12 P18054 6/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
ESR1 P03372 2/20 0.59
TP53 P04637 2/20 0.59
CYP3A4 P08684 2/20 0.59
HPGD P15428 2/20 0.59
MAPK1 P28482 2/20 0.59
RECQL P46063 2/20 0.59
KMT2A Q03164 2/20 0.59
HIF1A Q16665 2/20 0.59
HSD17B10 Q99714 2/20 0.59
NR3C1 P04150 2/20 0.59
FOS P01100 2/20 0.59
TTR P02766 2/20 0.59
JUN P05412 2/20 0.59
HSD17B1 P14061 2/20 0.59
HSD17B2 P37059 2/20 0.59

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
SCHEMBL2958216 0.83 ALOX15 (0.56) ALOX15ALOX12KDM4EMEN1ALDH1A1
SCHEMBL29462572 0.80 ALOX15 (0.66) ALOX15ALOX12KDM4EMEN1ALDH1A1
SCHEMBL2956883 0.80 ALOX15 (0.66) ALOX15ALOX12KDM4EMEN1ALDH1A1
SCHEMBL9435002 0.80 ALOX15 (0.66) ALOX15ALOX12KDM4EMEN1ALDH1A1
SCHEMBL2738991 0.80 ALOX15 (0.66) ALOX15ALOX12KDM4EMEN1ALDH1A1
SCHEMBL13748214 0.79 ALOX15 (0.63) ALOX15ALOX12KDM4EMEN1ALDH1A1
SCHEMBL4071418 0.77 ALOX15 (0.61) ALOX15ALOX12KDM4EMEN1ALDH1A1
SCHEMBL19354481 0.77 ALOX15 (0.66) ALOX15ALOX12KDM4EMEN1ALDH1A1
SCHEMBL25988099 0.76 ALOX15 (0.51) ALOX15ALOX12KDM4EMEN1ALDH1A1
Bromide SCHEMBL31545349 0.76 ALOX15 (0.59) ALOX15ALOX12KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692096-B1 HYDROXYLAMINE DERIVATIVES NEWRON PHARM SPA (IT) 2013-04-03 EP claimed
US-20070049643-A1 Hydroxylamine derivatives VICURON PHARMACEUTICALS INC. 2007-03-01 US claimed
EP-1692096-B1 HYDROXYLAMINE DERIVATIVES NEWRON PHARM SPA (IT) 2013-04-03 EP disclosed
US-20100197799-A1 HYDROXYLAMINE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-08-05 US disclosed
US-7763751-B2 Hydroxylamine derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-07-27 US disclosed
US-20070049643-A1 Hydroxylamine derivatives VICURON PHARMACEUTICALS INC. 2007-03-01 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-20100197799-A1 HYDROXYLAMINE DERIVATIVES C9, C1S, HTT ALOX15 3845/4885ALOX12 3814/4885KDM4E 4033/4885
US-20070049643-A1 Hydroxylamine derivatives C9, C1S, HTT ALOX15 3665/4885ALOX12 3652/4885KDM4E 4299/4885

“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.