SCHEMBL6630372

SCHEMBL6630372

[CH2]c1c(OCC)cc(OCC)cc1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.46
KDM4E B2RXH2 4/20 0.43
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LTA4H P09960 2/20 0.35
EPHX1 P07099 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6630377 0.78 NQO1 (0.48) NQO1KDM4ETSHRTDP1ALDH1A1
SCHEMBL5252599 0.77 KMT2A (0.40) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL14562274 0.76 TSHR (0.48) NQO1KDM4ETSHRTDP1ALDH1A1
SCHEMBL27530195 0.76 NQO1 (0.46) NQO1KDM4ETSHRTDP1ALDH1A1
SCHEMBL31376349 0.76 KDM4E (0.47) NQO1KDM4ETSHRTDP1ALDH1A1
SCHEMBL16575424 0.76 NQO1 (0.46) NQO1KDM4ETSHRTDP1ALDH1A1
SCHEMBL1683212 0.76 NQO1 (0.65) NQO1KDM4ETSHRTDP1ALDH1A1
SCHEMBL6799758 0.76 NQO1 (0.52) NQO1KDM4ETSHRTDP1ALDH1A1
SCHEMBL2257845 0.75 NQO1 (0.50) NQO1TSHRTDP1ALDH1A1MEN1
SCHEMBL6884520 0.74 NQO1 (0.44) NQO1KDM4ETSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868429-A1 OLIGOPEPTIDE COMPOUNDS CONTAINING D-2-ALKYLTRYPTOPHAN CAPABLE OF PROMOTING THE RELEASE OF GROWTH HORMONE Ardana Bioscience Limited (GB) 1998-10-07 EP claimed
WO-1997022620-A1 OLIGOPEPTIDE COMPOUNDS CONTAINING D-2-ALKYLTRYPTOPHAN CAPABLE OF PROMOTING THE RELEASE OF GROWTH HORMONE DEGHENGHI ROMANO (CH) 1997-06-26 WO claimed
EP-1417202-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-12 EP disclosed
EP-1301481-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP disclosed
US-20030069276-A1 Amino piperidine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-04-10 US disclosed
WO-2002079186-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-10-10 WO disclosed
US-20020032221-A1 Pyrrole derivatives ROCHE PRODUCTS LIMITED (GB) 2002-03-14 US disclosed
US-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists BRITTON THOMAS CHARLES (US) 2002-01-17 US disclosed
WO-2002002524-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 WO disclosed
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 EP disclosed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 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 (3 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-20030069276-A1 Amino piperidine derivatives CCR5, CCR2, CXCR4 NQO1 3244/4885KDM4E 784/4885TSHR 4197/4885
US-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY5R NQO1 4669/4885KDM4E 1708/4885TSHR 145/4885
US-20020032221-A1 Pyrrole derivatives PYCR1, SARS1, MAVS NQO1 842/4885KDM4E 897/4885TSHR 4743/4885

“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.