SCHEMBL4860844

SCHEMBL4860844

CC1(C)OCC(CCON2C(=O)c3ccccc3C2=O)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RECQL P46063 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL10305099 1.00 GAA (0.47) GAAALDH1A1NPSR1RECQLMEN1
SCHEMBL10305084 1.00 GAA (0.47) GAAALDH1A1NPSR1RECQLMEN1
SCHEMBL12767468 0.94 RECQL (0.46) GAAALDH1A1NPSR1RECQLMEN1
SCHEMBL12767504 0.94 RECQL (0.46) GAAALDH1A1NPSR1RECQLMEN1
SCHEMBL6845476 0.87 ALDH1A1 (0.45) GAAALDH1A1NPSR1RECQLMEN1
SCHEMBL30486880 0.87 ALDH1A1 (0.45) GAAALDH1A1NPSR1RECQLMEN1
SCHEMBL4860312 0.87 ALDH1A1 (0.45) GAAALDH1A1NPSR1RECQLMEN1
SCHEMBL4860306 0.87 ALDH1A1 (0.45) GAAALDH1A1NPSR1RECQLMEN1
SCHEMBL752923 0.78 CYP1A2 (0.56) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL20707236 0.77 CYP1A2 (0.52) ALDH1A1MEN1KMT2AKDM4ECYP1A2

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
EP-1301472-B1 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER LAMBERT CO (US) 2014-03-26 EP disclosed
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-6960614-B2 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2005-11-01 US disclosed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 US disclosed
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2004-03-18 US disclosed
EP-1301472-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2003-04-16 EP disclosed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 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-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 GAA 818/4885ALDH1A1 157/4885NPSR1 1734/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO GAA 519/4885ALDH1A1 200/4885NPSR1 2165/4885

“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.