SCHEMBL4443571

SCHEMBL4443571

CCCCC(CC)COC(C)COCCO

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.50
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 5/20 0.44
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
TSHR P16473 4/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
CA2 P00918 2/20 0.37
RECQL P46063 1/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 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
SCHEMBL19566193 0.87 CYP3A4 (0.50) CYP3A4TDP1ALDH1A1MMP9MMP8
SCHEMBL33532 0.86 CYP3A4 (0.65) CYP3A4TDP1ALDH1A1MMP9MMP8
Di(Hydroxyethyl)Ether SCHEMBL10498163 0.85 CYP3A4 (0.47) CYP3A4TDP1ALDH1A1MMP9MMP8
SCHEMBL16105793 0.85 CYP3A4 (0.51) CYP3A4TDP1ALDH1A1MMP9MMP8
SCHEMBL3417281 0.84 CYP3A4 (0.53) CYP3A4TDP1ALDH1A1MMP9MMP8
Ethylene Glycol SCHEMBL27709262 0.84 CYP3A4 (0.62) CYP3A4TDP1ALDH1A1MMP9MMP8
SCHEMBL20560196 0.84 CYP3A4 (0.62) CYP3A4TDP1ALDH1A1MMP9MMP8
SCHEMBL28016674 0.84 CYP3A4 (0.62) CYP3A4TDP1ALDH1A1MMP9MMP8
Ethylene Glycol SCHEMBL27415060 0.84 CYP3A4 (0.62) CYP3A4TDP1ALDH1A1MMP9MMP8
SCHEMBL26330772 0.83 MEN1 (0.50) CYP3A4TDP1ALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838977-B1 A METHOD TO TREAT FLUSHING LIQUOR SYSTEMS IN COKE PLANTS BL TECHNOLOGIES INC (US) 2019-10-02 EP claimed
EP-2741607-B1 USE AND AGROCHEMICAL COMPOSITION OF CARBOXYLIC ACID DIBUTYLAMIDES BAYER CROPSCIENCE AG (DE) 2018-10-17 EP disclosed
US-20160311129-A1 COMPOSITION COMPRISING AN ACTIVE INGREDIENT COMPOSITION AND AN ADDITIVE COMPOSITION FOR PENETRATING A TIMBER RÜTGERS ORGANICS GMBH (DE) 2016-10-27 US disclosed
EP-3085505-A1 A COMPOSITION COMPRISING AN ACTIVE INGREDIENT COMPOSITION AND AN ADDITIVE COMPOSITION FOR PENETRATING A TIMBER RÜTGERS Organics GmbH (DE) 2016-10-26 EP disclosed
EP-2741607-A1 USE AND AGROCHEMICAL COMPOSITION OF CARBOXYLIC ACID DIBUTYLAMIDES Bayer Intellectual Property GmbH (DE) 2014-06-18 EP disclosed
WO-2013021045-A1 USE AND AGROCHEMICAL COMPOSITION OF CARBOXYLIC ACID DIBUTYLAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 WO disclosed
EP-2091892-A2 CALCIUM FORMIATE FERTILISER Lanxess Deutschland GmbH (DE) 2009-08-26 EP disclosed
WO-2008058936-A2 CALCIUM FORMIATE FERTILISER LANXESS DEUTSCHLAND GMBH (DE) 2008-05-22 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 (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-20160311129-A1 COMPOSITION COMPRISING AN ACTIVE INGREDIENT COMPOSITION AND AN ADDITIVE COMPOSITION FOR PENETRATING A TIMBER TIMM10, TIMM13, TIMM9 CYP3A4 965/4885TDP1 2012/4885ALDH1A1 349/4885

“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.