SCHEMBL991491

SCHEMBL991491

CCCOc1c(O)ccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.48
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
PAK1 Q13153 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
SLC2A1 P11166 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL7571476 0.90 KCNH2 (0.52) KCNH2HSD17B10USP2PAK1CYP1A2
SCHEMBL7595465 0.86 ALOX5 (0.54) KCNH2HSD17B10USP2PAK1CYP1A2
SCHEMBL4885527 0.84 IDO1 (0.54) KCNH2HSD17B10USP2PAK1CYP1A2
SCHEMBL11196561 0.81 HTR1B (0.56) KCNH2HSD17B10USP2PAK1CYP1A2
SCHEMBL2703781 0.81 GAA (0.53) KCNH2CYP2C9CNR1CNR2TDP1
SCHEMBL9870108 0.81 TSHR (0.47) HSD17B10CYP1A2CYP2C19SLC2A1CNR1
Ammonia Solution, Strong SCHEMBL27937782 0.79 TSHR (0.46) HSD17B10CYP1A2CYP2C19SLC2A1CNR1
SCHEMBL29371827 0.78 TLR8 (0.44) CYP1A2SLC2A1CNR1CNR2TDP1
SCHEMBL7966951 0.78 TLR8 (0.44) CYP1A2SLC2A1CNR1CNR2TDP1
SCHEMBL15345502 0.77 SLC2A1 (0.49) SLC2A1CNR1CNR2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448864-A2 SILICA-BASED PARTICLE COMPOSITION Nalco Company (US) 2012-05-09 EP disclosed
WO-2011028497-A2 CALCIUM-BASED CARRIER PARTICLES NALCO COMPANY (US) 2011-03-10 WO disclosed
WO-2011028496-A2 CALCIUM BASED CARRIER PARTICLES NALCO COMPANY (US) 2011-03-10 WO disclosed
WO-2011028498-A2 CALCIUM-BASED CARRIER PARTICLES NALCO COMPANY (US) 2011-03-10 WO disclosed
WO-2011028469-A2 CALCIUM BASED CARRIER PARTICLES NALCO COMPANY (US) 2011-03-10 WO disclosed
US-20110046241-A1 CALCIUM BASED CARRIER PARTICLES NANOSPECIALTIES, LLC 2011-02-24 US disclosed
US-20110046240-A1 CALCIUM-BASED CARRIER PARTICLES NALCO COMPANY 2011-02-24 US disclosed
US-20110046239-A1 CALCIUM BASED CARRIER PARTICLES NANOSPECIALTIES, LLC 2011-02-24 US disclosed
US-20110046238-A1 CALCIUM BASED CARRIER PARTICLES NANOSPECIALTIES, LLC 2011-02-24 US disclosed
WO-2011008492-A2 SILICA-BASED PARTICLE COMPOSITION NALCO COMPANY (US) 2011-01-20 WO disclosed
WO-2011008484-A2 SILICA-BASED PARTICLE COMPOSITION NALCO COMPANY (US) 2011-01-20 WO disclosed
US-20100330366-A1 SILICA-BASED PARTICLE COMPOSITION NANOSPECIALTIES, LLC 2010-12-30 US disclosed
US-20100331431-A1 SILICA-BASED PARTICLE COMPOSITION NALCO COMPANY 2010-12-30 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 (4 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-20110046241-A1 CALCIUM BASED CARRIER PARTICLES ORAI1, CA7, ACP1 KCNH2 644/4885HSD17B10 2328/4885USP2 3559/4885
US-20110046240-A1 CALCIUM-BASED CARRIER PARTICLES ORAI1, CA7, CA4 KCNH2 669/4885HSD17B10 2143/4885USP2 3438/4885
US-20110046238-A1 CALCIUM BASED CARRIER PARTICLES ORAI1, CA7, ACP1 KCNH2 644/4885HSD17B10 2328/4885USP2 3559/4885
US-20110046239-A1 CALCIUM BASED CARRIER PARTICLES ORAI1, CA7, ACP1 KCNH2 644/4885HSD17B10 2328/4885USP2 3559/4885

“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.