SCHEMBL66706

SCHEMBL66706

C[C](C)CC1CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.37
ALDH1A1 P00352 7/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX15 P16050 1/20 0.32
GAA P10253 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31

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
SCHEMBL7992041 0.88 KDM4E (0.30) KDM4EALDH1A1PKM
SCHEMBL7980542 0.87
SCHEMBL7992414 0.83
SCHEMBL11456470 0.83 KDM4E (0.36) KDM4EALDH1A1PKMTDP1HSD17B10
SCHEMBL2690835 0.83 KDM4E (0.42) KDM4EALDH1A1PKMTDP1HSD17B10
SCHEMBL2145456 0.83 KDM4E (0.39) KDM4EALDH1A1PKMTDP1HSD17B10
Acetic Acid SCHEMBL16498836 0.78 KDM4E (0.41) KDM4EALDH1A1PKMTDP1HSD17B10
SCHEMBL22587458 0.76 KDM4E (0.43) KDM4EALDH1A1PKMTDP1HSD17B10
SCHEMBL92858 0.76 KDM4E (0.43) KDM4EALDH1A1PKMTDP1HSD17B10
SCHEMBL11571280 0.75 KDM4E (0.38) KDM4EALDH1A1PKMTDP1HSD17B10

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288340-B1 NANOPARTICLE FORMULATIONS AND USES THEREOF ABRAXIS BIOSCIENCE LLC (US) 2020-06-24 EP disclosed
EP-2416650-B1 NANOPARTICLE FORMULATIONS AND USES THEROF ABRAXIS BIOSCIENCE LLC (US) 2020-02-26 EP disclosed
US-10570431-B2 Compositions comprising a polypeptide having cellulolytic enhancing activity and a heterocyclic compound and uses thereof NOVOZYMES, INC. (US) 2020-02-25 US disclosed
US-20180363018-A1 Compositions Comprising A Polypeptide Having Cellulolytic Enhancing Activity And A Heterocyclic Compound And Uses Thereof NOVOZYMES, INC. (US) 2018-12-20 US disclosed
US-20180289620-A1 NANOPARTICLE FORMULATIONS AND USES THEREOF ABRAXIS BIOSCIENCE, LLC 2018-10-11 US disclosed
US-10087478-B2 Compositions comprising a polypeptide having cellulolytic enhancing activity and a nitrogen-containing compound and uses thereof NOVOZYMES, INC. (US) 2018-10-02 US disclosed
US-10041101-B2 Compositions comprising a polypeptide having cellulolytic enhancing activity and a heterocyclic compound and uses thereof NOVOZYMES, INC. (US) 2018-08-07 US disclosed
EP-2603594-B1 COMPOSITIONS COMPRISING A POLYPEPTIDE HAVING CELLULOLYTIC ENHANCING ACTIVITY AND A BICYCLIC COMPOUND AND USES THEREOF NOVOZYMES INC (US) 2018-04-25 EP disclosed
EP-2603598-B1 COMPOSITIONS COMPRISING A GH61 POLYPEPTIDE HAVING CELLULOLYTIC ENHANCING ACTIVITY AND A QUINONE COMPOUND AND USES THEREOF NOVOZYMES INC (US) 2018-04-18 EP disclosed
US-20180019412-A1 Compositions Comprising A Polypeptide Having Cellulolytic Enhancing Activity And A Quinone Compound And Uses Thereof NOVOZYMES, INC. (US) 2018-01-18 US disclosed
US-20090263483-A1 NANOPARTICLE FORMULATIONS AND USES THEREOF ABRAXIS BIOSCIENCE, LLC 2009-10-22 US disclosed
WO-2009126938-A1 NANOPARTICLE FORMULATIONS AND USES THEREOF ABRAXIS BIOSCIENCES, LLC (US) 2009-10-15 WO disclosed
WO-2009126401-A1 COMPOSITIONS OF HYDROPHOBIC TAXANE DERIVATIVES AND USES THEREOF ABRAXIS BIOSCIENCE, LLC (US) 2009-10-15 WO disclosed
WO-2009126175-A1 COMPOSITIONS OF HYDROPHOBIC TAXANE DERIVATIVES AND USES THEREOF ABRAXIS BIOSCIENCE, LLC (US) 2009-10-15 WO disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO disclosed
WO-2009042694-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2009-04-02 WO disclosed
WO-2008155727-A1 PLATINUM (IV) COMPLEXES PLATCO TECHNOLOGIES (PROPRIETARY) LIMITED (ZA) 2008-12-24 WO disclosed
US-6277790-B1 APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT BASF AKTIENGESELLSCHAFT (DE) 2001-08-21 US disclosed
EP-1003741-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-31 EP disclosed
WO-1999007702-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1999-02-18 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 (5 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-20180019412-A1 Compositions Comprising A Polypeptide Having Cellulolytic Enhancing Activity And A Quinone Compound And Uses Thereof PGLS, CEL, PNLIP KDM4E 3424/4885ALDH1A1 3681/4885PKM 2194/4885
US-20090263483-A1 NANOPARTICLE FORMULATIONS AND USES THEREOF ABCB1, SLC47A1, ABCC1 KDM4E 4658/4885ALDH1A1 1501/4885PKM 3884/4885
US-20180289620-A1 NANOPARTICLE FORMULATIONS AND USES THEREOF ABCB1, SLC47A1, ABCC1 KDM4E 4658/4885ALDH1A1 1501/4885PKM 3884/4885
US-10570431-B2 Compositions comprising a polypeptide having cellulolytic enhancing activity and a heterocyclic compound and uses thereof CEL, VIP, CTRC KDM4E 3524/4885ALDH1A1 4339/4885PKM 1703/4885
US-20180363018-A1 Compositions Comprising A Polypeptide Having Cellulolytic Enhancing Activity And A Heterocyclic Compound And Uses Thereof CEL, VIP, CTRC KDM4E 3524/4885ALDH1A1 4339/4885PKM 1703/4885

“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.