SCHEMBL4070932

SCHEMBL4070932

OCC(O)Cn1cnc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 8/20 0.67
MAPT P10636 3/20 0.65
MAPK1 P28482 3/20 0.65
TSHR P16473 2/20 0.65
POLB P06746 1/20 0.65
HSD17B10 Q99714 1/20 0.65
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP1A2 P05177 1/20 0.62
IDO1 P14902 1/20 0.60
GGPS1 O95749 1/20 0.59
FDPS P14324 1/20 0.59
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
APAF1 O14727 1/20 0.57

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
SCHEMBL30719991 0.85 AGER (0.65) AGERMAPTMAPK1TSHRPOLB
SCHEMBL25297849 0.85 AGER (0.65) AGERMAPTMAPK1TSHRPOLB
SCHEMBL6791275 0.84 GGPS1 (0.64) AGERMAPTMAPK1TSHRPOLB
SCHEMBL16603976 0.81 IDO1 (0.74) AGERMAPTMAPK1TSHRPOLB
SCHEMBL18069502 0.81 AGER (0.64) AGERMAPTMAPK1TSHRPOLB
SCHEMBL16603963 0.81 BACE1 (0.65) AGERMAPTMAPK1TSHRPOLB
SCHEMBL6176569 0.81 APAF1 (0.68) AGERMAPTMAPK1TSHRPOLB
SCHEMBL6175278 0.81 APAF1 (0.68) AGERMAPTMAPK1TSHRPOLB
SCHEMBL16603990 0.80 AGER (1.00) AGERMAPTMAPK1TSHRPOLB
SCHEMBL16603995 0.80 AGER (1.00) AGERMAPTMAPK1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105849210-B Dispersants having multiple aromatic imide anchoring groups 路博润先进材料公司 2019-12-13 CN disclosed
US-10442884-B2 Dispersants with multiple aromatic imide anchor groups LUBRIZOL ADVANCED MATERIALS, INC. (US) 2019-10-15 US disclosed
US-20160237196-A1 DISPERSANTS WITH MULTIPLE AROMATIC IMIDE ANCHOR GROUPS LUBRIZOL ADVANCED MAT INC (US) 2016-08-18 US disclosed
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
EP-1089809-B1 POLYURETHANE DISPERSANTS LUBRIZOL CORP (US) 2006-10-18 EP disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
US-6509409-B1 A dispersant comprising the addition product of a polyisocyanate having an average functionality of from 2 to 10 and one or more poly(oxyalkylene carbonyl) chains (POAC chain) such as those containing a POAC chain derived from AVECIA LIMITED (GB) 2003-01-21 US disclosed
EP-0956153-B1 DISPERSING AGENT EFKA ADDITIVES B V (NL) 2002-10-02 EP disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 WO disclosed
EP-0956153-A1 DISPERSING AGENT Ekfa Chemicals B.V. (NL) 1999-11-17 EP disclosed
US-5882393-A REACTION PRODUCT OF POLYISOCYANATES WITH A COMPOUND OF RING STRUCTURE WITH AT LEAST ONE NITROGEN ATOM IN RING; LACQUER EFKA CHEMICALS B.V. (NL) 1999-03-16 US disclosed
WO-1997026984-A1 DISPERSING AGENT EKFA CHEMICALS B.V. (NL) 1997-07-31 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 AGER 648/4885MAPT 4540/4885MAPK1 1891/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 AGER 618/4885MAPT 4266/4885MAPK1 2094/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 AGER 648/4885MAPT 4540/4885MAPK1 1891/4885

“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.